3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide

C21H25ClN2O2 — CID 60566295

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-26-20-9-7-16(15-19(20)22)8-10-21(25)23-17-11-13-24(14-12-17)18-5-3-2-4-6-18/h2-7,9,15,17H,8,10-14H2,1H3,(H,23,25)
InChIKeyHXONRUZDAQVTCX-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.07
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide

3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide (PubChem CID 60566295) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
PubChem CID60566295
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-26-20-9-7-16(15-19(20)22)8-10-21(25)23-17-11-13-24(14-12-17)18-5-3-2-4-6-18/h2-7,9,15,17H,8,10-14H2,1H3,(H,23,25)
InChIKeyHXONRUZDAQVTCX-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
3-(3-chloro-4-methoxyphenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55661061
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110767057
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
3-(3-chloro-4-methoxyphenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114631252
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide (CID 60566295) is 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide is COc1ccc(CCC(=O)NC2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
The InChIKey is HXONRUZDAQVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-20-9-7-16(15-19(20)22)8-10-21(25)23-17-11-13-24(14-12-17)18-5-3-2-4-6-18/h2-7,9,15,17H,8,10-14H2,1H3,(H,23,25).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide has a molecular weight of 372.90 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide is sourced from PubChem (CID 60566295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).