(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide

C15H19ClN2O3 — CID 172675142

IUPAC(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-21-13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyWOSHQSSTXNWEDB-JTQLQIEISA-N
MW310.78 g/mol
LogP1.62
Rot. Bonds4

About (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 172675142) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
PubChem CID172675142
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-21-13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1
InChIKeyWOSHQSSTXNWEDB-JTQLQIEISA-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

(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 51519873
(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
CID 172675159
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
2-(5-chloro-2-methoxyphenyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103900213
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60957270
2-(5-chloro-2-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559727
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 119630916
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480672

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide (CID 172675142) is (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide is COc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is WOSHQSSTXNWEDB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-21-13-5-4-12(16)7-11(13)8-14(19)18-6-2-3-10(9-18)15(17)20/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,17,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-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 (3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).