N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide

C23H32N4O3 — CID 110262256

IUPACN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide
SMILESCc1nonc1CNC(=O)C1(Cc2cccc(C3CCCN(C)C3)c2)CCOCC1
InChIInChI=1S/C23H32N4O3/c1-17-21(26-30-25-17)15-24-22(28)23(8-11-29-12-9-23)14-18-5-3-6-19(13-18)20-7-4-10-27(2)16-20/h3,5-6,13,20H,4,7-12,14-16H2,1-2H3,(H,24,28)
InChIKeyXGKVJLDKSLDIHP-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide (PubChem CID 110262256) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide
PubChem CID110262256
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide
SMILESCc1nonc1CNC(=O)C1(Cc2cccc(C3CCCN(C)C3)c2)CCOCC1
InChIInChI=1S/C23H32N4O3/c1-17-21(26-30-25-17)15-24-22(28)23(8-11-29-12-9-23)14-18-5-3-6-19(13-18)20-7-4-10-27(2)16-20/h3,5-6,13,20H,4,7-12,14-16H2,1-2H3,(H,24,28)
InChIKeyXGKVJLDKSLDIHP-UHFFFAOYSA-N
XLogP2.84
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(3R)-1-methylpiperidin-3-yl]phenyl]methyl]-N-[2-(5-methylpyrazol-1-yl)ethyl]oxane-4-carboxamide
CID 95832336
N-[2-(2-methylimidazol-1-yl)ethyl]-4-[[3-[(3R)-1-methylpiperidin-3-yl]phenyl]methyl]oxane-4-carboxamide
CID 95832338
4-[[3-(3-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 132779071
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 125026020
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110088169
4-[[3-(3-fluorophenyl)phenyl]methyl]-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129454122
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
CID 116988811
N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 110111262
(4-benzyloxan-4-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110148802
3-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 22856989
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 166240610

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide (CID 110262256) is N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide is Cc1nonc1CNC(=O)C1(Cc2cccc(C3CCCN(C)C3)c2)CCOCC1.
What is the InChIKey of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is XGKVJLDKSLDIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17-21(26-30-25-17)15-24-22(28)23(8-11-29-12-9-23)14-18-5-3-6-19(13-18)20-7-4-10-27(2)16-20/h3,5-6,13,20H,4,7-12,14-16H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide?
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-[[3-(1-methylpiperidin-3-yl)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 110262256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).