1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide

C27H34N4O3 — CID 26334451

IUPAC1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1=O
InChIInChI=1S/C27H34N4O3/c1-3-11-28-26(33)23-18-31(22-9-4-5-10-22)19-24(25(23)32)27(34)30-14-12-29(13-15-30)17-21-8-6-7-20(2)16-21/h3,6-8,16,18-19,22H,1,4-5,9-15,17H2,2H3,(H,28,33)
InChIKeyWSCKBIXFZHMJFU-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.15
Rot. Bonds7

About 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide

1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 26334451) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID26334451
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1=O
InChIInChI=1S/C27H34N4O3/c1-3-11-28-26(33)23-18-31(22-9-4-5-10-22)19-24(25(23)32)27(34)30-14-12-29(13-15-30)17-21-8-6-7-20(2)16-21/h3,6-8,16,18-19,22H,1,4-5,9-15,17H2,2H3,(H,28,33)
InChIKeyWSCKBIXFZHMJFU-UHFFFAOYSA-N
XLogP3.15
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
3-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-cyclopentyl-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26341693
1-benzyl-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 26318211
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
1-butan-2-yl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 45176946
(5-amino-2-methylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640078
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26319537
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(2-pyrrolidin-3-ylphenyl)methanone;dihydrochloride
CID 154894827
1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 70779876
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 26334451) is 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is WSCKBIXFZHMJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-11-28-26(33)23-18-31(22-9-4-5-10-22)19-24(25(23)32)27(34)30-14-12-29(13-15-30)17-21-8-6-7-20(2)16-21/h3,6-8,16,18-19,22H,1,4-5,9-15,17H2,2H3,(H,28,33).
What are the key properties of 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 26334451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).