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

C14H24N2O3 — CID 62690079

IUPAC2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(18)9-11-5-4-8-16(10-11)14(19)15-12-6-2-1-3-7-12/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyWFRORFVWJZABAJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds3

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

2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 62690079) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID62690079
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(18)9-11-5-4-8-16(10-11)14(19)15-12-6-2-1-3-7-12/h11-12H,1-10H2,(H,15,19)(H,17,18)
InChIKeyWFRORFVWJZABAJ-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
CID 64742546
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid (CID 62690079) is 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is WFRORFVWJZABAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)9-11-5-4-8-16(10-11)14(19)15-12-6-2-1-3-7-12/h11-12H,1-10H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).