1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide

C16H25N5O2 — CID 72906669

IUPAC1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCn1cnnc1)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c22-15-7-6-13(10-21(15)14-4-1-2-5-14)16(23)17-8-3-9-20-11-18-19-12-20/h11-14H,1-10H2,(H,17,23)
InChIKeyDRCLJTCADIMDNH-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.97
Rot. Bonds6

About 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide

1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide (PubChem CID 72906669) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide
PubChem CID72906669
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCn1cnnc1)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c22-15-7-6-13(10-21(15)14-4-1-2-5-14)16(23)17-8-3-9-20-11-18-19-12-20/h11-14H,1-10H2,(H,17,23)
InChIKeyDRCLJTCADIMDNH-UHFFFAOYSA-N
XLogP0.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.97
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-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide (CID 72906669) is 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide is O=C(NCCCn1cnnc1)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
The InChIKey is DRCLJTCADIMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-15-7-6-13(10-21(15)14-4-1-2-5-14)16(23)17-8-3-9-20-11-18-19-12-20/h11-14H,1-10H2,(H,17,23).
What are the key properties of 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide?
1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-oxo-N-[3-(1,2,4-triazol-4-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 72906669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).