2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid

C14H17ClN2O3 — CID 61010111

IUPAC2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O3/c15-10-4-3-5-11(8-10)16-14(20)17-7-2-1-6-12(17)9-13(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,16,20)(H,18,19)
InChIKeyCDNNCLFPWLRKKI-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.20
Rot. Bonds3

About 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61010111) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61010111
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O3/c15-10-4-3-5-11(8-10)16-14(20)17-7-2-1-6-12(17)9-13(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,16,20)(H,18,19)
InChIKeyCDNNCLFPWLRKKI-UHFFFAOYSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62216964
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
N-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568584
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61010111) is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is CDNNCLFPWLRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-4-3-5-11(8-10)16-14(20)17-7-2-1-6-12(17)9-13(18)19/h3-5,8,12H,1-2,6-7,9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).