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

C17H27N5O — CID 87052209

IUPACN-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C17H27N5O/c23-17(19-14-5-1-2-6-14)22-10-4-3-7-15(22)16-20-18-12-21(16)11-13-8-9-13/h12-15H,1-11H2,(H,19,23)
InChIKeyGYCUFZPVIXPDHL-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.87
Rot. Bonds4

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

N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 87052209) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID87052209
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C17H27N5O/c23-17(19-14-5-1-2-6-14)22-10-4-3-7-15(22)16-20-18-12-21(16)11-13-8-9-13/h12-15H,1-11H2,(H,19,23)
InChIKeyGYCUFZPVIXPDHL-UHFFFAOYSA-N
XLogP2.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 87052209) is N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is GYCUFZPVIXPDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(19-14-5-1-2-6-14)22-10-4-3-7-15(22)16-20-18-12-21(16)11-13-8-9-13/h12-15H,1-11H2,(H,19,23).
What are the key properties of N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 87052209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).