[4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone

C22H22N2O2 — CID 2456977

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C22H22N2O2/c1-26-21-8-4-7-20(16-21)23-11-13-24(14-12-23)22(25)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15-16H,11-14H2,1H3
InChIKeySPEOTDVMQNTFIK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.81
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 2456977) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID2456977
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C22H22N2O2/c1-26-21-8-4-7-20(16-21)23-11-13-24(14-12-23)22(25)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15-16H,11-14H2,1H3
InChIKeySPEOTDVMQNTFIK-UHFFFAOYSA-N
XLogP3.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone 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-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
(S)-3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide
CID 9909448
VY762J4L4K
CID 10621491
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(naphthalen-2-yl)propanamide
CID 23648328
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 6710451
N-(3-methoxyphenyl)-2-phenylbenzamide
CID 976228
3-(4-(4-Methoxyphenyl)-1-piperazinyl)-1-(2-naphthyl)-1-propanone
CID 3490010
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-(naphthalen-2-ylformamido)propanamide
CID 23648332
3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-ethyl]-benzamide
CID 11090403
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl][2.2]-paracyclophane-4-carboxamide
CID 11504230

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 2456977) is [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone is COc1cccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is SPEOTDVMQNTFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-21-8-4-7-20(16-21)23-11-13-24(14-12-23)22(25)19-10-9-17-5-2-3-6-18(17)15-19/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 2456977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).