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

C14H17ClN2O3 — CID 62689912

IUPAC2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O3/c15-11-4-1-5-12(8-11)16-14(20)17-6-2-3-10(9-17)7-13(18)19/h1,4-5,8,10H,2-3,6-7,9H2,(H,16,20)(H,18,19)
InChIKeyRLQUJZALRFGFLJ-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.06
Rot. Bonds3

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

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62689912) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID62689912
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O3/c15-11-4-1-5-12(8-11)16-14(20)17-6-2-3-10(9-17)7-13(18)19/h1,4-5,8,10H,2-3,6-7,9H2,(H,16,20)(H,18,19)
InChIKeyRLQUJZALRFGFLJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107368637
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
2-[4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975732
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid (CID 62689912) is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is RLQUJZALRFGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-4-1-5-12(8-11)16-14(20)17-6-2-3-10(9-17)7-13(18)19/h1,4-5,8,10H,2-3,6-7,9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 3.06, 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-3-yl]acetic acid is sourced from PubChem (CID 62689912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).