1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile

C14H19N5O2 — CID 127945601

IUPAC1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CC(=O)N2CCCC(OCC3CC3)C2)n1
InChIInChI=1S/C14H19N5O2/c15-6-13-16-10-19(17-13)8-14(20)18-5-1-2-12(7-18)21-9-11-3-4-11/h10-12H,1-5,7-9H2
InChIKeyKPKAROUDRCVFJD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.57
Rot. Bonds5

About 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile

1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 127945601) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
PubChem CID127945601
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CC(=O)N2CCCC(OCC3CC3)C2)n1
InChIInChI=1S/C14H19N5O2/c15-6-13-16-10-19(17-13)8-14(20)18-5-1-2-12(7-18)21-9-11-3-4-11/h10-12H,1-5,7-9H2
InChIKeyKPKAROUDRCVFJD-UHFFFAOYSA-N
XLogP0.57
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile 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 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile (CID 127945601) is 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CC(=O)N2CCCC(OCC3CC3)C2)n1.
What is the InChIKey of 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is KPKAROUDRCVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-6-13-16-10-19(17-13)8-14(20)18-5-1-2-12(7-18)21-9-11-3-4-11/h10-12H,1-5,7-9H2.
What are the key properties of 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile?
1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 127945601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).