2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C20H20N4O — CID 2129239

IUPAC2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20N4O/c25-19(15-17-7-3-6-16-5-1-2-8-18(16)17)23-11-13-24(14-12-23)20-21-9-4-10-22-20/h1-10H,11-15H2
InChIKeyBAEIGOUAUIHRCH-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.52
Rot. Bonds3

About 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 2129239) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID2129239
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1cccc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20N4O/c25-19(15-17-7-3-6-16-5-1-2-8-18(16)17)23-11-13-24(14-12-23)20-21-9-4-10-22-20/h1-10H,11-15H2
InChIKeyBAEIGOUAUIHRCH-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone 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

Triflumezopyrim
CID 57414497
4-[(4-Fluoro-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132954
4-[(3-{[4-(Pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132953
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(2-(4-methylpiperazin-1-yl)-4-o-tolylpyrimidin-5-yl)propanamide
CID 9873032
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
N-[(2R)-1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 9854449
N-[(2S)-1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 9933918
Naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1280312
(2,4-Dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2554447
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(2-(4-methylpiperazin-1-yl)-5-o-tolylpyrimidin-4-yl)propanamide
CID 9808347

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 2129239) is 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1cccc2ccccc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BAEIGOUAUIHRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-19(15-17-7-3-6-16-5-1-2-8-18(16)17)23-11-13-24(14-12-23)20-21-9-4-10-22-20/h1-10H,11-15H2.
What are the key properties of 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 332.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2129239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).