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

C27H37N3O4 — CID 26355468

IUPAC2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
SMILESCOCCn1c(C)cc(=O)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)c1CC1CCCC1
InChIInChI=1S/C27H37N3O4/c1-20-17-25(31)26(24(30(20)15-16-33-2)18-21-7-4-5-8-21)27(32)29-13-11-28(12-14-29)22-9-6-10-23(19-22)34-3/h6,9-10,17,19,21H,4-5,7-8,11-16,18H2,1-3H3
InChIKeyDDABYLQNISWELG-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.51
Rot. Bonds8

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

2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one (PubChem CID 26355468) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
PubChem CID26355468
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC Name2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
SMILESCOCCn1c(C)cc(=O)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)c1CC1CCCC1
InChIInChI=1S/C27H37N3O4/c1-20-17-25(31)26(24(30(20)15-16-33-2)18-21-7-4-5-8-21)27(32)29-13-11-28(12-14-29)22-9-6-10-23(19-22)34-3/h6,9-10,17,19,21H,4-5,7-8,11-16,18H2,1-3H3
InChIKeyDDABYLQNISWELG-UHFFFAOYSA-N
XLogP3.51
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one with MolForge

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Related Compounds

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one
CID 42369810
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 31912909
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-1,2-dimethylpyridin-4-one
CID 71701833
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
(4,5-dibromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573712
(4-cyclopentylpiperazin-1-yl)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 55911978
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 91811549
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
The IUPAC name of 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one (CID 26355468) is 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
The canonical SMILES for 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one is COCCn1c(C)cc(=O)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)c1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
The InChIKey is DDABYLQNISWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-20-17-25(31)26(24(30(20)15-16-33-2)18-21-7-4-5-8-21)27(32)29-13-11-28(12-14-29)22-9-6-10-23(19-22)34-3/h6,9-10,17,19,21H,4-5,7-8,11-16,18H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one has a molecular weight of 467.61 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1-(2-methoxyethyl)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one is sourced from PubChem (CID 26355468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).