[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone

C16H21N5O — CID 119490474

IUPAC[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCNC1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1
InChIInChI=1S/C16H21N5O/c1-12-5-3-7-14(9-12)21-11-15(18-19-21)16(22)20-8-4-6-13(10-20)17-2/h3,5,7,9,11,13,17H,4,6,8,10H2,1-2H3
InChIKeyIXQFEXJQXULPPE-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.40
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone

[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone (PubChem CID 119490474) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
PubChem CID119490474
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCNC1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1
InChIInChI=1S/C16H21N5O/c1-12-5-3-7-14(9-12)21-11-15(18-19-21)16(22)20-8-4-6-13(10-20)17-2/h3,5,7,9,11,13,17H,4,6,8,10H2,1-2H3
InChIKeyIXQFEXJQXULPPE-UHFFFAOYSA-N
XLogP1.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)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-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124574837
[3-(methylamino)piperidin-1-yl]-[1-(3-nitrophenyl)triazol-4-yl]methanone
CID 119492160
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119594665
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119485152
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119490412
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752
1-(3-methylphenyl)-4-(1-pyrrolidin-1-ylethenyl)triazole
CID 139421999
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone (CID 119490474) is [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone is CNC1CCCN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The InChIKey is IXQFEXJQXULPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-5-3-7-14(9-12)21-11-15(18-19-21)16(22)20-8-4-6-13(10-20)17-2/h3,5,7,9,11,13,17H,4,6,8,10H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.40, 3 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]-[1-(3-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 119490474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).