N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide

C62H70N6O7 — CID 87727535

IUPACN-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1.Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C31H35N3O4.C31H35N3O3/c1-37-29-11-10-26(31(36)34-14-12-24(13-15-34)20-23-6-3-2-4-7-23)22-28(29)32-30(35)25-8-5-9-27(21-25)33-16-18-38-19-17-33;1-23-10-11-27(31(36)34-14-12-25(13-15-34)20-24-6-3-2-4-7-24)22-29(23)32-30(35)26-8-5-9-28(21-26)33-16-18-37-19-17-33/h2-11,21-22,24H,12-20H2,1H3,(H,32,35);2-11,21-22,25H,12-20H2,1H3,(H,32,35)
InChIKeyFMZOVAOVARUVNI-UHFFFAOYSA-N
MW1011.28 g/mol
LogP10.06
Rot. Bonds13

About N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide

N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide (PubChem CID 87727535) has the molecular formula C62H70N6O7 and a molecular weight of 1011.28 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide
PubChem CID87727535
Molecular FormulaC62H70N6O7
Molecular Weight1011.28 g/mol
Exact Mass1010.53
IUPAC NameN-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide
SMILESCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1.Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C31H35N3O4.C31H35N3O3/c1-37-29-11-10-26(31(36)34-14-12-24(13-15-34)20-23-6-3-2-4-7-23)22-28(29)32-30(35)25-8-5-9-27(21-25)33-16-18-38-19-17-33;1-23-10-11-27(31(36)34-14-12-25(13-15-34)20-24-6-3-2-4-7-24)22-29(23)32-30(35)26-8-5-9-28(21-26)33-16-18-37-19-17-33/h2-11,21-22,24H,12-20H2,1H3,(H,32,35);2-11,21-22,25H,12-20H2,1H3,(H,32,35)
InChIKeyFMZOVAOVARUVNI-UHFFFAOYSA-N
XLogP10.06
TPSA132.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.28
LogP ≤ 510.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide (CID 87727535) is N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide is COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1.Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1.
What is the InChIKey of N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide?
The InChIKey is FMZOVAOVARUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4.C31H35N3O3/c1-37-29-11-10-26(31(36)34-14-12-24(13-15-34)20-23-6-3-2-4-7-23)22-28(29)32-30(35)25-8-5-9-27(21-25)33-16-18-38-19-17-33;1-23-10-11-27(31(36)34-14-12-25(13-15-34)20-24-6-3-2-4-7-24)22-29(23)32-30(35)26-8-5-9-28(21-26)33-16-18-37-19-17-33/h2-11,21-22,24H,12-20H2,1H3,(H,32,35);2-11,21-22,25H,12-20H2,1H3,(H,32,35).
What are the key properties of N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide?
N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide has a molecular weight of 1011.28 g/mol, XLogP of 10.06, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-3-morpholin-4-ylbenzamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 87727535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).