[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone

C15H19N5O — CID 124594340

IUPAC[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1-n1cncn1
InChIInChI=1S/C15H19N5O/c1-11-7-12(4-5-14(11)20-10-17-9-18-20)15(21)19-6-2-3-13(16)8-19/h4-5,7,9-10,13H,2-3,6,8,16H2,1H3/t13-/m1/s1
InChIKeyFJJCSSGVWIRZTD-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds2

About [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 124594340) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID124594340
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1-n1cncn1
InChIInChI=1S/C15H19N5O/c1-11-7-12(4-5-14(11)20-10-17-9-18-20)15(21)19-6-2-3-13(16)8-19/h4-5,7,9-10,13H,2-3,6,8,16H2,1H3/t13-/m1/s1
InChIKeyFJJCSSGVWIRZTD-CYBMUJFWSA-N
XLogP1.14
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone 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

[(3R)-3-aminopyrrolidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119413554
(3-aminopiperidin-1-yl)-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119377221
[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119521017
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 99817438
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
[3-(methylamino)piperidin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119487633
[3-(methylamino)piperidin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119487632
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 124594340) is [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone is Cc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1-n1cncn1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is FJJCSSGVWIRZTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-7-12(4-5-14(11)20-10-17-9-18-20)15(21)19-6-2-3-13(16)8-19/h4-5,7,9-10,13H,2-3,6,8,16H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 124594340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).