N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide

C23H29ClN2O — CID 55428414

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c1-2-18-3-5-19(6-4-18)9-12-23(27)25-22-13-15-26(16-14-22)17-20-7-10-21(24)11-8-20/h3-8,10-11,22H,2,9,12-17H2,1H3,(H,25,27)
InChIKeyJNMAATRARZHQSD-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.62
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide (PubChem CID 55428414) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
PubChem CID55428414
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c1-2-18-3-5-19(6-4-18)9-12-23(27)25-22-13-15-26(16-14-22)17-20-7-10-21(24)11-8-20/h3-8,10-11,22H,2,9,12-17H2,1H3,(H,25,27)
InChIKeyJNMAATRARZHQSD-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]naphthalene-2-carboxylic acid
CID 24745006
4-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 108562341
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
3-(4-chlorophenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108556549
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55428186
methyl 4-[3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzoate
CID 68955678
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide (CID 55428414) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide?
The InChIKey is JNMAATRARZHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-2-18-3-5-19(6-4-18)9-12-23(27)25-22-13-15-26(16-14-22)17-20-7-10-21(24)11-8-20/h3-8,10-11,22H,2,9,12-17H2,1H3,(H,25,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide has a molecular weight of 384.95 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 55428414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).