3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide

C23H31N3O — CID 42858234

IUPAC3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
SMILESCc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-18(2)16-23(27)26(21-9-7-19(3)8-10-21)22-11-14-25(15-12-22)17-20-6-4-5-13-24-20/h4-10,13,18,22H,11-12,14-17H2,1-3H3
InChIKeyCOPAPANCBRGIFN-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.43
Rot. Bonds6

About 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide

3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide (PubChem CID 42858234) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
PubChem CID42858234
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
SMILESCc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-18(2)16-23(27)26(21-9-7-19(3)8-10-21)22-11-14-25(15-12-22)17-20-6-4-5-13-24-20/h4-10,13,18,22H,11-12,14-17H2,1-3H3
InChIKeyCOPAPANCBRGIFN-UHFFFAOYSA-N
XLogP4.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 42858063
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
4-[[(2-fluorobenzoyl)amino]-[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)benzamide
CID 150328036
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 42858106
N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055313
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide (CID 42858234) is 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide is Cc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide?
The InChIKey is COPAPANCBRGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(2)16-23(27)26(21-9-7-19(3)8-10-21)22-11-14-25(15-12-22)17-20-6-4-5-13-24-20/h4-10,13,18,22H,11-12,14-17H2,1-3H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide?
3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide has a molecular weight of 365.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 42858234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).