4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one

C24H29N3O2 — CID 110250406

IUPAC4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
SMILESCCCN1CCN(C(=O)C2CCC2)C(Cc2ccccc2-c2ccncc2)C1=O
InChIInChI=1S/C24H29N3O2/c1-2-14-26-15-16-27(23(28)19-7-5-8-19)22(24(26)29)17-20-6-3-4-9-21(20)18-10-12-25-13-11-18/h3-4,6,9-13,19,22H,2,5,7-8,14-17H2,1H3
InChIKeyIPRQHUOCYOVFNQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.54
Rot. Bonds6

About 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one

4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one (PubChem CID 110250406) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
PubChem CID110250406
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
SMILESCCCN1CCN(C(=O)C2CCC2)C(Cc2ccccc2-c2ccncc2)C1=O
InChIInChI=1S/C24H29N3O2/c1-2-14-26-15-16-27(23(28)19-7-5-8-19)22(24(26)29)17-20-6-3-4-9-21(20)18-10-12-25-13-11-18/h3-4,6,9-13,19,22H,2,5,7-8,14-17H2,1H3
InChIKeyIPRQHUOCYOVFNQ-UHFFFAOYSA-N
XLogP3.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811815
(3S)-4-(cyclohexanecarbonyl)-1-ethyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811633
(3S)-4-(2-methoxybenzoyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 95811813
4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250410
(3S)-4-(3-methoxybenzoyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 129455424
4-(cyclobutanecarbonyl)-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250581
(3R)-4-(cyclopropylmethyl)-1-propyl-3-[(2-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95811862
(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-propylpiperazin-2-one
CID 129458255
(3R)-4-(cyclobutanecarbonyl)-1-prop-2-enyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 124968372
(6S)-1-(cyclobutanecarbonyl)-4-propyl-6-[(3-pyridin-4-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92587174
6-[(2-phenylphenyl)methyl]-1-(piperidine-4-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 132779005
4-butanoyl-1-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250558

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one (CID 110250406) is 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one is CCCN1CCN(C(=O)C2CCC2)C(Cc2ccccc2-c2ccncc2)C1=O.
What is the InChIKey of 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The InChIKey is IPRQHUOCYOVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-14-26-15-16-27(23(28)19-7-5-8-19)22(24(26)29)17-20-6-3-4-9-21(20)18-10-12-25-13-11-18/h3-4,6,9-13,19,22H,2,5,7-8,14-17H2,1H3.
What are the key properties of 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?
4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 110250406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).