(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one

C24H25N3O — CID 167914731

IUPAC(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1ccncc1/C=C/C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H25N3O/c1-19-11-12-25-17-21(19)9-10-24(28)27-15-13-26(14-16-27)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-12,17H,13-16,18H2,1H3/b10-9+
InChIKeyKOMNZVPADPVNAC-MDZDMXLPSA-N
MW371.48 g/mol
LogP3.90
Rot. Bonds4

About (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one

(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 167914731) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID167914731
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1ccncc1/C=C/C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H25N3O/c1-19-11-12-25-17-21(19)9-10-24(28)27-15-13-26(14-16-27)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-12,17H,13-16,18H2,1H3/b10-9+
InChIKeyKOMNZVPADPVNAC-MDZDMXLPSA-N
XLogP3.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-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

(E)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 9397945
N-[4-[(E)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 31265904
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 112801401
(E)-3-(4-methylphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 8642391
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(E)-3-[2-(difluoromethoxy)phenyl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 43041534
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
(E)-3-(3-fluorophenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 8623792
(E)-3-(2-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 55673099

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one (CID 167914731) is (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one is Cc1ccncc1/C=C/C(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is KOMNZVPADPVNAC-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H25N3O/c1-19-11-12-25-17-21(19)9-10-24(28)27-15-13-26(14-16-27)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-12,17H,13-16,18H2,1H3/b10-9+.
What are the key properties of (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 371.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 167914731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).