[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone

C21H25N3O — CID 71032299

IUPAC[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(NC2CCC2)CC1
InChIInChI=1S/C21H25N3O/c25-21(23-13-15-24(16-14-23)22-20-7-4-8-20)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-3,5-6,9-12,20,22H,4,7-8,13-16H2
InChIKeyDFPORXVCUSDVAA-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.17
Rot. Bonds4

About [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 71032299) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID71032299
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(NC2CCC2)CC1
InChIInChI=1S/C21H25N3O/c25-21(23-13-15-24(16-14-23)22-20-7-4-8-20)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-3,5-6,9-12,20,22H,4,7-8,13-16H2
InChIKeyDFPORXVCUSDVAA-UHFFFAOYSA-N
XLogP3.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 71032299) is [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(NC2CCC2)CC1.
What is the InChIKey of [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is DFPORXVCUSDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(23-13-15-24(16-14-23)22-20-7-4-8-20)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-3,5-6,9-12,20,22H,4,7-8,13-16H2.
What are the key properties of [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 335.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylamino)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 71032299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).