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

C18H29N5O — CID 91908948

IUPACN-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Cc2nncn2CC2CC2)CC1
InChIInChI=1S/C18H29N5O/c24-18(20-16-3-1-2-4-16)22-9-7-14(8-10-22)11-17-21-19-13-23(17)12-15-5-6-15/h13-16H,1-12H2,(H,20,24)
InChIKeyIKXTZLDMBYEEHN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.59
Rot. Bonds5

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

N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 91908948) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide
PubChem CID91908948
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Cc2nncn2CC2CC2)CC1
InChIInChI=1S/C18H29N5O/c24-18(20-16-3-1-2-4-16)22-9-7-14(8-10-22)11-17-21-19-13-23(17)12-15-5-6-15/h13-16H,1-12H2,(H,20,24)
InChIKeyIKXTZLDMBYEEHN-UHFFFAOYSA-N
XLogP2.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]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-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide (CID 91908948) is N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(Cc2nncn2CC2CC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is IKXTZLDMBYEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c24-18(20-16-3-1-2-4-16)22-9-7-14(8-10-22)11-17-21-19-13-23(17)12-15-5-6-15/h13-16H,1-12H2,(H,20,24).
What are the key properties of N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide?
N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91908948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).