1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide

C15H19ClN2O3 — CID 110769975

IUPAC1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-21-12-3-2-11(13(16)9-12)8-14(19)18-6-4-10(5-7-18)15(17)20/h2-3,9-10H,4-8H2,1H3,(H2,17,20)
InChIKeyHVYHQFBKCRCGJN-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide

1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 110769975) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
PubChem CID110769975
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-21-12-3-2-11(13(16)9-12)8-14(19)18-6-4-10(5-7-18)15(17)20/h2-3,9-10H,4-8H2,1H3,(H2,17,20)
InChIKeyHVYHQFBKCRCGJN-UHFFFAOYSA-N
XLogP1.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686069
2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 71918620
1-[4-[2-(2-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800357
2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023582
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769371
1-[2-[3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]piperidine-4-carboxamide
CID 73149300
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide
CID 84550395

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide (CID 110769975) is 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide is COc1ccc(CC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is HVYHQFBKCRCGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-12-3-2-11(13(16)9-12)8-14(19)18-6-4-10(5-7-18)15(17)20/h2-3,9-10H,4-8H2,1H3,(H2,17,20).
What are the key properties of 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide?
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110769975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).