1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid

C15H26N2O3 — CID 106005313

IUPAC1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCC2CCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)13-7-10-17(11-8-13)15(20)16-9-3-6-12-4-1-2-5-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyOENSMQLPBIGICI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid

1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106005313) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106005313
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCC2CCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(19)13-7-10-17(11-8-13)15(20)16-9-3-6-12-4-1-2-5-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyOENSMQLPBIGICI-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide
CID 112837772
1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid (CID 106005313) is 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCCC2CCCC2)CC1.
What is the InChIKey of 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is OENSMQLPBIGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)13-7-10-17(11-8-13)15(20)16-9-3-6-12-4-1-2-5-12/h12-13H,1-11H2,(H,16,20)(H,18,19).
What are the key properties of 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid?
1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106005313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).