3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one

C26H34ClN3O3 — CID 42369810

IUPAC3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one
SMILESCOCCn1c(C)cc(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1CC1CCCC1
InChIInChI=1S/C26H34ClN3O3/c1-19-16-24(31)25(23(30(19)14-15-33-2)17-20-6-3-4-7-20)26(32)29-12-10-28(11-13-29)22-9-5-8-21(27)18-22/h5,8-9,16,18,20H,3-4,6-7,10-15,17H2,1-2H3
InChIKeyLAFTWQDNEIUAGC-UHFFFAOYSA-N
MW472.03 g/mol
LogP4.15
Rot. Bonds7

About 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one (PubChem CID 42369810) has the molecular formula C26H34ClN3O3 and a molecular weight of 472.03 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one
PubChem CID42369810
Molecular FormulaC26H34ClN3O3
Molecular Weight472.03 g/mol
Exact Mass471.23
IUPAC Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one
SMILESCOCCn1c(C)cc(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1CC1CCCC1
InChIInChI=1S/C26H34ClN3O3/c1-19-16-24(31)25(23(30(19)14-15-33-2)17-20-6-3-4-7-20)26(32)29-12-10-28(11-13-29)22-9-5-8-21(27)18-22/h5,8-9,16,18,20H,3-4,6-7,10-15,17H2,1-2H3
InChIKeyLAFTWQDNEIUAGC-UHFFFAOYSA-N
XLogP4.15
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.03
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-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-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
CID 26355468
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5195635
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
3-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 42663529
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one
CID 175667141
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114135
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one (CID 42369810) is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one is COCCn1c(C)cc(=O)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1CC1CCCC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one?
The InChIKey is LAFTWQDNEIUAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O3/c1-19-16-24(31)25(23(30(19)14-15-33-2)17-20-6-3-4-7-20)26(32)29-12-10-28(11-13-29)22-9-5-8-21(27)18-22/h5,8-9,16,18,20H,3-4,6-7,10-15,17H2,1-2H3.
What are the key properties of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one?
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one has a molecular weight of 472.03 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one is sourced from PubChem (CID 42369810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).