1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one

C18H24N4O — CID 138387699

IUPAC1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCN(Cc1ccc(-n2cccn2)cc1)CC1CCC(=O)N(C)C1
InChIInChI=1S/C18H24N4O/c1-20(13-16-6-9-18(23)21(2)14-16)12-15-4-7-17(8-5-15)22-11-3-10-19-22/h3-5,7-8,10-11,16H,6,9,12-14H2,1-2H3
InChIKeyAXMPFBBRNIMQBZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.17
Rot. Bonds5

About 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one

1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one (PubChem CID 138387699) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
PubChem CID138387699
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
SMILESCN(Cc1ccc(-n2cccn2)cc1)CC1CCC(=O)N(C)C1
InChIInChI=1S/C18H24N4O/c1-20(13-16-6-9-18(23)21(2)14-16)12-15-4-7-17(8-5-15)22-11-3-10-19-22/h3-5,7-8,10-11,16H,6,9,12-14H2,1-2H3
InChIKeyAXMPFBBRNIMQBZ-UHFFFAOYSA-N
XLogP2.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-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

5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid
CID 154920204
N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 164699388
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
CID 138384460
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
N-methyl-3-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 56915637
N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide
CID 146146158
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
[4-[[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]phenyl]methanol
CID 129343365

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one (CID 138387699) is 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one is CN(Cc1ccc(-n2cccn2)cc1)CC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is AXMPFBBRNIMQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-20(13-16-6-9-18(23)21(2)14-16)12-15-4-7-17(8-5-15)22-11-3-10-19-22/h3-5,7-8,10-11,16H,6,9,12-14H2,1-2H3.
What are the key properties of 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one?
1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 312.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 138387699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).