1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H22N2O4 — CID 43385417

IUPAC1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)CC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C14H22N2O4/c15-12(18)10-4-3-7-16(9-10)11(17)8-14(13(19)20)5-1-2-6-14/h10H,1-9H2,(H2,15,18)(H,19,20)
InChIKeyCXJSOAQEVQASJT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.75
Rot. Bonds4

About 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43385417) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43385417
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)C1CCCN(C(=O)CC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C14H22N2O4/c15-12(18)10-4-3-7-16(9-10)11(17)8-14(13(19)20)5-1-2-6-14/h10H,1-9H2,(H2,15,18)(H,19,20)
InChIKeyCXJSOAQEVQASJT-UHFFFAOYSA-N
XLogP0.75
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43385417) is 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is NC(=O)C1CCCN(C(=O)CC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is CXJSOAQEVQASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c15-12(18)10-4-3-7-16(9-10)11(17)8-14(13(19)20)5-1-2-6-14/h10H,1-9H2,(H2,15,18)(H,19,20).
What are the key properties of 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43385417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).