N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide

C23H29ClN2O — CID 46048250

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide
SMILESCCCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN2O/c1-3-6-23(27)26(22-10-4-7-18(2)15-22)21-11-13-25(14-12-21)17-19-8-5-9-20(24)16-19/h4-5,7-10,15-16,21H,3,6,11-14,17H2,1-2H3
InChIKeyUYKDECBHYCMDJM-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.45
Rot. Bonds6

About N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide

N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide (PubChem CID 46048250) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide
PubChem CID46048250
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide
SMILESCCCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN2O/c1-3-6-23(27)26(22-10-4-7-18(2)15-22)21-11-13-25(14-12-21)17-19-8-5-9-20(24)16-19/h4-5,7-10,15-16,21H,3,6,11-14,17H2,1-2H3
InChIKeyUYKDECBHYCMDJM-UHFFFAOYSA-N
XLogP5.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 42853332
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
N-(3-fluoro-4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]butanamide
CID 46048335
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 46054931
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 46052954
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide (CID 46048250) is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide is CCCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide?
The InChIKey is UYKDECBHYCMDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-3-6-23(27)26(22-10-4-7-18(2)15-22)21-11-13-25(14-12-21)17-19-8-5-9-20(24)16-19/h4-5,7-10,15-16,21H,3,6,11-14,17H2,1-2H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide?
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide has a molecular weight of 384.95 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 46048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).