1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide

C14H17ClN2O2 — CID 95211420

IUPAC1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17ClN2O2/c15-12-3-1-2-10(8-12)9-13(18)17-6-4-11(5-7-17)14(16)19/h1-3,8,11H,4-7,9H2,(H2,16,19)
InChIKeySEPWJVXHEAXFPP-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.61
Rot. Bonds3

About 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide

1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 95211420) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
PubChem CID95211420
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17ClN2O2/c15-12-3-1-2-10(8-12)9-13(18)17-6-4-11(5-7-17)14(16)19/h1-3,8,11H,4-7,9H2,(H2,16,19)
InChIKeySEPWJVXHEAXFPP-UHFFFAOYSA-N
XLogP1.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 79736993
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone;hydrochloride
CID 86813278
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
1-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethanone
CID 125118018
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide (CID 95211420) is 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is SEPWJVXHEAXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-3-1-2-10(8-12)9-13(18)17-6-4-11(5-7-17)14(16)19/h1-3,8,11H,4-7,9H2,(H2,16,19).
What are the key properties of 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide?
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 95211420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).