2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C15H24N2O4 — CID 60662901

IUPAC2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESNC(=O)C1CCCN(C(=O)CC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C15H24N2O4/c16-14(21)11-4-3-7-17(10-11)12(18)8-15(9-13(19)20)5-1-2-6-15/h11H,1-10H2,(H2,16,21)(H,19,20)
InChIKeyWCAYPVCBXQIFBH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.14
Rot. Bonds5

About 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 60662901) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID60662901
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESNC(=O)C1CCCN(C(=O)CC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C15H24N2O4/c16-14(21)11-4-3-7-17(10-11)12(18)8-15(9-13(19)20)5-1-2-6-15/h11H,1-10H2,(H2,16,21)(H,19,20)
InChIKeyWCAYPVCBXQIFBH-UHFFFAOYSA-N
XLogP1.14
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235005
2-[1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 79188535
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 60662901) is 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is NC(=O)C1CCCN(C(=O)CC2(CC(=O)O)CCCC2)C1.
What is the InChIKey of 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is WCAYPVCBXQIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c16-14(21)11-4-3-7-17(10-11)12(18)8-15(9-13(19)20)5-1-2-6-15/h11H,1-10H2,(H2,16,21)(H,19,20).
What are the key properties of 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 60662901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).