1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one

C17H27N5O — CID 138381321

IUPAC1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCN(c3ncccn3)CC2)CCC1=O
InChIInChI=1S/C17H27N5O/c1-14(2)22-13-15(4-5-16(22)23)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyNCTCAHFPXSTODL-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.25
Rot. Bonds4

About 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one

1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 138381321) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID138381321
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCN(c3ncccn3)CC2)CCC1=O
InChIInChI=1S/C17H27N5O/c1-14(2)22-13-15(4-5-16(22)23)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyNCTCAHFPXSTODL-UHFFFAOYSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)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

2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
1-propan-2-yl-5-[[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]piperidin-2-one
CID 138383809
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
CID 138387575
5-[(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-propan-2-ylpiperidin-2-one
CID 138808811
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 106740839
3-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
CID 67792354
5-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1-propan-2-ylpiperidin-2-one
CID 138807134
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one (CID 138381321) is 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one is CC(C)N1CC(CN2CCN(c3ncccn3)CC2)CCC1=O.
What is the InChIKey of 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is NCTCAHFPXSTODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-14(2)22-13-15(4-5-16(22)23)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3,6-7,14-15H,4-5,8-13H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one?
1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 317.44 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 138381321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).