2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C15H26N6O — CID 136563355

IUPAC2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(N2CCN(C(C)C(=O)N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C15H26N6O/c1-12(14(22)20-6-4-3-5-7-20)19-8-10-21(11-9-19)15-16-13(2)17-18-15/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyDYCVTPUMSCBWQS-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.64
Rot. Bonds3

About 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 136563355) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID136563355
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(N2CCN(C(C)C(=O)N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C15H26N6O/c1-12(14(22)20-6-4-3-5-7-20)19-8-10-21(11-9-19)15-16-13(2)17-18-15/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyDYCVTPUMSCBWQS-UHFFFAOYSA-N
XLogP0.64
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-pyrrolidin-1-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 124756386
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
2-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86789278
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
2-[4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890839
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
1-[2-hydroxy-3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]propyl]cyclohexan-1-ol
CID 146139416
(2S)-1-(azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 95273427
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 136563355) is 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is Cc1nc(N2CCN(C(C)C(=O)N3CCCCC3)CC2)n[nH]1.
What is the InChIKey of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DYCVTPUMSCBWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-12(14(22)20-6-4-3-5-7-20)19-8-10-21(11-9-19)15-16-13(2)17-18-15/h12H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 136563355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).