[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone

C22H25N5O — CID 119491525

IUPAC[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
SMILESCNC1CCCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1
InChIInChI=1S/C22H25N5O/c1-16-21(22(28)26-14-6-9-19(15-26)23-2)24-25-27(16)20-12-10-18(11-13-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19,23H,6,9,14-15H2,1-2H3
InChIKeyOPQMNTNTNDSUFX-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.07
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone

[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone (PubChem CID 119491525) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
PubChem CID119491525
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
SMILESCNC1CCCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1
InChIInChI=1S/C22H25N5O/c1-16-21(22(28)26-14-6-9-19(15-26)23-2)24-25-27(16)20-12-10-18(11-13-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19,23H,6,9,14-15H2,1-2H3
InChIKeyOPQMNTNTNDSUFX-UHFFFAOYSA-N
XLogP3.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]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

[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 124691205
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 119489808
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119490412
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493022
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
CID 119388737
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
(3S)-1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514143
(3R)-1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125149150

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone (CID 119491525) is [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone is CNC1CCCN(C(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
The InChIKey is OPQMNTNTNDSUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-21(22(28)26-14-6-9-19(15-26)23-2)24-25-27(16)20-12-10-18(11-13-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19,23H,6,9,14-15H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone?
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone has a molecular weight of 375.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 119491525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).