1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide

C16H27N5O — CID 72883541

IUPAC1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCn1cnnc1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(17-8-4-9-20-12-18-19-13-20)14-5-3-10-21(11-14)15-6-1-2-7-15/h12-15H,1-11H2,(H,17,22)
InChIKeyBOWAAEHOJKLSCD-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.44
Rot. Bonds6

About 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide

1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide (PubChem CID 72883541) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide
PubChem CID72883541
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCn1cnnc1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C16H27N5O/c22-16(17-8-4-9-20-12-18-19-13-20)14-5-3-10-21(11-14)15-6-1-2-7-15/h12-15H,1-11H2,(H,17,22)
InChIKeyBOWAAEHOJKLSCD-UHFFFAOYSA-N
XLogP1.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide (CID 72883541) is 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide is O=C(NCCCn1cnnc1)C1CCCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
The InChIKey is BOWAAEHOJKLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-16(17-8-4-9-20-12-18-19-13-20)14-5-3-10-21(11-14)15-6-1-2-7-15/h12-15H,1-11H2,(H,17,22).
What are the key properties of 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 72883541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).