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

C27H34N4O3 — CID 26359751

IUPAC1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c1=O
InChIInChI=1S/C27H34N4O3/c1-4-11-28-26(33)22-17-31(21-7-5-6-8-21)18-23(25(22)32)27(34)30-14-12-29(13-15-30)24-10-9-19(2)16-20(24)3/h4,9-10,16-18,21H,1,5-8,11-15H2,2-3H3,(H,28,33)
InChIKeyPMELUQWLNLJSRS-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.46
Rot. Bonds6

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

1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 26359751) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID26359751
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c1=O
InChIInChI=1S/C27H34N4O3/c1-4-11-28-26(33)22-17-31(21-7-5-6-8-21)18-23(25(22)32)27(34)30-14-12-29(13-15-30)24-10-9-19(2)16-20(24)3/h4,9-10,16-18,21H,1,5-8,11-15H2,2-3H3,(H,28,33)
InChIKeyPMELUQWLNLJSRS-UHFFFAOYSA-N
XLogP3.46
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 26359751) is 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is PMELUQWLNLJSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-4-11-28-26(33)22-17-31(21-7-5-6-8-21)18-23(25(22)32)27(34)30-14-12-29(13-15-30)24-10-9-19(2)16-20(24)3/h4,9-10,16-18,21H,1,5-8,11-15H2,2-3H3,(H,28,33).
What are the key properties of 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 26359751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).