3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 103549965

IUPAC3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCN2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c18-14(12-5-6-13(11-12)15(19)20)16-7-4-10-17-8-2-1-3-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeySSBZZEYPBFHUIP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds6

About 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid

3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103549965) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103549965
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCN2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c18-14(12-5-6-13(11-12)15(19)20)16-7-4-10-17-8-2-1-3-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeySSBZZEYPBFHUIP-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
(1S,6R)-6-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962034
3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106326768
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
6-(4-pyrrolidin-1-ylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 82036764
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103549965) is 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCCN2CCCCC2)C1.
What is the InChIKey of 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is SSBZZEYPBFHUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(12-5-6-13(11-12)15(19)20)16-7-4-10-17-8-2-1-3-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).