2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid

C14H17ClN2O3 — CID 62494147

IUPAC2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
SMILESNC(=O)c1cc(Cl)ccc1N1CCCCC1CC(=O)O
InChIInChI=1S/C14H17ClN2O3/c15-9-4-5-12(11(7-9)14(16)20)17-6-2-1-3-10(17)8-13(18)19/h4-5,7,10H,1-3,6,8H2,(H2,16,20)(H,18,19)
InChIKeyDFVBDBUQKGWDOE-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid

2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid (PubChem CID 62494147) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
PubChem CID62494147
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
SMILESNC(=O)c1cc(Cl)ccc1N1CCCCC1CC(=O)O
InChIInChI=1S/C14H17ClN2O3/c15-9-4-5-12(11(7-9)14(16)20)17-6-2-1-3-10(17)8-13(18)19/h4-5,7,10H,1-3,6,8H2,(H2,16,20)(H,18,19)
InChIKeyDFVBDBUQKGWDOE-UHFFFAOYSA-N
XLogP2.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-carbamoyl-5-chlorophenyl)piperidin-2-yl]propanoic acid
CID 63081734
2-[2-(aminomethyl)piperidin-1-yl]-4-chlorobenzamide
CID 63082965
2-[1-(4-carbamoyl-2-chlorophenyl)pyrrolidin-2-yl]acetic acid
CID 63092740
5-chloro-2-[2-(hydroxymethyl)azepan-1-yl]benzenecarbothioamide
CID 116634840
5-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 62493326
5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 63254418
5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
CID 61407227
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-chlorobenzamide
CID 113284607
5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 62890034
4-chloro-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 63081491
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid (CID 62494147) is 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid is NC(=O)c1cc(Cl)ccc1N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid?
The InChIKey is DFVBDBUQKGWDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-9-4-5-12(11(7-9)14(16)20)17-6-2-1-3-10(17)8-13(18)19/h4-5,7,10H,1-3,6,8H2,(H2,16,20)(H,18,19).
What are the key properties of 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid?
2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 62494147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).