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

C27H34N4O4 — CID 31054737

IUPAC1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3ccccc3OC)CC2)c1=O
InChIInChI=1S/C27H34N4O4/c1-3-12-28-26(33)22-18-31(21-9-5-6-10-21)19-23(25(22)32)27(34)30-15-13-29(14-16-30)17-20-8-4-7-11-24(20)35-2/h3-4,7-8,11,18-19,21H,1,5-6,9-10,12-17H2,2H3,(H,28,33)
InChIKeyKZFZNCCAFQOARR-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.85
Rot. Bonds8

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

1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 31054737) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID31054737
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3ccccc3OC)CC2)c1=O
InChIInChI=1S/C27H34N4O4/c1-3-12-28-26(33)22-18-31(21-9-5-6-10-21)19-23(25(22)32)27(34)30-15-13-29(14-16-30)17-20-8-4-7-11-24(20)35-2/h3-4,7-8,11,18-19,21H,1,5-6,9-10,12-17H2,2H3,(H,28,33)
InChIKeyKZFZNCCAFQOARR-UHFFFAOYSA-N
XLogP2.85
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 45176946
1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26334451
1-cyclopentyl-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26359751
3-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-cyclopentyl-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26341693
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
1-benzyl-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 26318211
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 42432926
5-N-[2-(2-methoxyphenyl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26348562

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 31054737) is 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3ccccc3OC)CC2)c1=O.
What is the InChIKey of 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is KZFZNCCAFQOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-3-12-28-26(33)22-18-31(21-9-5-6-10-21)19-23(25(22)32)27(34)30-15-13-29(14-16-30)17-20-8-4-7-11-24(20)35-2/h3-4,7-8,11,18-19,21H,1,5-6,9-10,12-17H2,2H3,(H,28,33).
What are the key properties of 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 31054737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).