1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 60940397

IUPAC1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-9-18-10-5-13(6-11-18)17-14(19)12-16(15(20)21)7-3-4-8-16/h13H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyOYVUPZJDYOHXQD-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds6

About 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 60940397) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID60940397
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-2-9-18-10-5-13(6-11-18)17-14(19)12-16(15(20)21)7-3-4-8-16/h13H,2-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyOYVUPZJDYOHXQD-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
1-[2-(oxan-3-ylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63363742
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61476262
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634
1-[2-[(3-methoxycyclopentyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114117925
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 54867602
2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 17376897
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide
CID 42156904

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid (CID 60940397) is 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid is CCCN1CCC(NC(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is OYVUPZJDYOHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-9-18-10-5-13(6-11-18)17-14(19)12-16(15(20)21)7-3-4-8-16/h13H,2-12H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60940397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).