2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one

C17H22N4O — CID 135719651

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-16(22)20-17(18-13)19-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H2,18,19,20,22)
InChIKeyDVTMQGJIWZXHRU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.15
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one

2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135719651) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135719651
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-13-11-16(22)20-17(18-13)19-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H2,18,19,20,22)
InChIKeyDVTMQGJIWZXHRU-UHFFFAOYSA-N
XLogP2.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-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

2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-[(1-benzylpiperidin-4-yl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137271991
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
4-N-(1-benzylpiperidin-4-yl)-6-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 117081921
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane
CID 145194658
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
2-[[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 135719847
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20892964
2-[(1-benzylpyrrolidin-3-yl)amino]-4-(3-methylanilino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 135544082
2-[(1S)-1-(4-anilinopiperidin-1-yl)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136898186

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135719651) is 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DVTMQGJIWZXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-16(22)20-17(18-13)19-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H2,18,19,20,22).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one?
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 298.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135719651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).