2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one

C21H26N6O — CID 135966300

IUPAC2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
SMILESNC1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1
InChIInChI=1S/C21H26N6O/c22-18-6-11-26(12-7-18)15-16-2-4-17(5-3-16)21-24-19(14-20(28)25-21)8-13-27-10-1-9-23-27/h1-5,9-10,14,18H,6-8,11-13,15,22H2,(H,24,25,28)
InChIKeyJKXSTDFOIGSHGL-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.80
Rot. Bonds6

About 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one

2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 135966300) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID135966300
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
SMILESNC1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1
InChIInChI=1S/C21H26N6O/c22-18-6-11-26(12-7-18)15-16-2-4-17(5-3-16)21-24-19(14-20(28)25-21)8-13-27-10-1-9-23-27/h1-5,9-10,14,18H,6-8,11-13,15,22H2,(H,24,25,28)
InChIKeyJKXSTDFOIGSHGL-UHFFFAOYSA-N
XLogP1.80
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-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-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one
CID 135966265
2-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-butyl-1H-pyrimidin-6-one
CID 135966319
2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135966306
4-butyl-2-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135915511
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 164663606
4-(2-chlorophenyl)-2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135966311
[4-[[4-[2-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 136766157
2-[4-[[(3S)-3-(aminomethyl)piperidin-1-yl]methyl]phenyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135996418
2-[4-[(4-acetyl-1,4-diazepan-1-yl)methyl]phenyl]-4-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135884235
4-butyl-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154889545
2-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135987008

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one (CID 135966300) is 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one is NC1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is JKXSTDFOIGSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c22-18-6-11-26(12-7-18)15-16-2-4-17(5-3-16)21-24-19(14-20(28)25-21)8-13-27-10-1-9-23-27/h1-5,9-10,14,18H,6-8,11-13,15,22H2,(H,24,25,28).
What are the key properties of 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one?
2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 378.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-4-(2-pyrazol-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135966300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).