4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine

C128H142N22O15 — CID 172951487

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
SMILESC=C(c1ccc(C2=NOC(C)(C)/C2=N\OC)cc1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)/C2=N\O)cc1)C1CCCNC1
InChIInChI=1S/2C28H28N4O3.C25H31N5O2.C24H28N4O4.C23H27N5O3/c2*1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19;1-17-8-6-15-27-24(17)30(21-9-7-14-26-16-21)18(2)19-10-12-20(13-11-19)22-23(29-31-5)25(3,4)32-28-22;1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22;1-15-6-4-13-25-21(15)28(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(26-30)23(2,3)31-27-19/h2*3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3;6,8,10-13,15,21,26H,2,7,9,14,16H2,1,3-5H3;4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3;4,6,8-11,13,18,24,30H,5,7,12,14H2,1-3H3/b;;29-23-;;26-20-
InChIKeyWWDBWILMYIABRY-KVSOLIGQSA-N
MW2228.68 g/mol
LogP18.43
Rot. Bonds26

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine (PubChem CID 172951487) has the molecular formula C128H142N22O15 and a molecular weight of 2228.68 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
PubChem CID172951487
Molecular FormulaC128H142N22O15
Molecular Weight2228.68 g/mol
Exact Mass2227.10
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
SMILESC=C(c1ccc(C2=NOC(C)(C)/C2=N\OC)cc1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)/C2=N\O)cc1)C1CCCNC1
InChIInChI=1S/2C28H28N4O3.C25H31N5O2.C24H28N4O4.C23H27N5O3/c2*1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19;1-17-8-6-15-27-24(17)30(21-9-7-14-26-16-21)18(2)19-10-12-20(13-11-19)22-23(29-31-5)25(3,4)32-28-22;1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22;1-15-6-4-13-25-21(15)28(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(26-30)23(2,3)31-27-19/h2*3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3;6,8,10-13,15,21,26H,2,7,9,14,16H2,1,3-5H3;4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3;4,6,8-11,13,18,24,30H,5,7,12,14H2,1-3H3/b;;29-23-;;26-20-
InChIKeyWWDBWILMYIABRY-KVSOLIGQSA-N
XLogP18.43
TPSA431.65 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002228.68
LogP ≤ 518.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine (CID 172951487) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine is C=C(c1ccc(C2=NOC(C)(C)/C2=N\OC)cc1)N(c1ncccc1C)C1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3-c3ccccc3)C3CCCNC3)cc2)C1=O.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)C1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)/C2=N\O)cc1)C1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
The InChIKey is WWDBWILMYIABRY-KVSOLIGQSA-N. The full InChI is InChI=1S/2C28H28N4O3.C25H31N5O2.C24H28N4O4.C23H27N5O3/c2*1-28(2)25(33)24(31-35-28)20-12-14-21(15-13-20)27(34)32(22-10-6-16-29-18-22)26-23(11-7-17-30-26)19-8-4-3-5-9-19;1-17-8-6-15-27-24(17)30(21-9-7-14-26-16-21)18(2)19-10-12-20(13-11-19)22-23(29-31-5)25(3,4)32-28-22;1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22;1-15-6-4-13-25-21(15)28(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(26-30)23(2,3)31-27-19/h2*3-5,7-9,11-15,17,22,29H,6,10,16,18H2,1-2H3;6,8,10-13,15,21,26H,2,7,9,14,16H2,1,3-5H3;4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3;4,6,8-11,13,18,24,30H,5,7,12,14H2,1-3H3/b;;29-23-;;26-20-.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine has a molecular weight of 2228.68 g/mol, XLogP of 18.43, 26 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 172951487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).