[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

C21H24N6O — CID 95715751

IUPAC[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESCN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccnc(-n3cnnc3)c2)C1
InChIInChI=1S/C21H24N6O/c1-25(13-17-6-3-2-4-7-17)19-8-5-11-26(14-19)21(28)18-9-10-22-20(12-18)27-15-23-24-16-27/h2-4,6-7,9-10,12,15-16,19H,5,8,11,13-14H2,1H3/t19-/m0/s1
InChIKeyBVXKRLQKINEWIC-IBGZPJMESA-N
MW376.46 g/mol
LogP2.40
Rot. Bonds5

About [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (PubChem CID 95715751) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
PubChem CID95715751
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESCN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccnc(-n3cnnc3)c2)C1
InChIInChI=1S/C21H24N6O/c1-25(13-17-6-3-2-4-7-17)19-8-5-11-26(14-19)21(28)18-9-10-22-20(12-18)27-15-23-24-16-27/h2-4,6-7,9-10,12,15-16,19H,5,8,11,13-14H2,1H3/t19-/m0/s1
InChIKeyBVXKRLQKINEWIC-IBGZPJMESA-N
XLogP2.40
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]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

(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74240317
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 45204558
[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25455997
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95552748
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 45245379
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95551102
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The IUPAC name of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (CID 95715751) is [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccnc(-n3cnnc3)c2)C1.
What is the InChIKey of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The InChIKey is BVXKRLQKINEWIC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N6O/c1-25(13-17-6-3-2-4-7-17)19-8-5-11-26(14-19)21(28)18-9-10-22-20(12-18)27-15-23-24-16-27/h2-4,6-7,9-10,12,15-16,19H,5,8,11,13-14H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 95715751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).