[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone

C22H25FN2O — CID 146140219

IUPAC[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1F)N1CCC(NC2CCC2)CC1
InChIInChI=1S/C22H25FN2O/c23-21-15-17(16-5-2-1-3-6-16)9-10-20(21)22(26)25-13-11-19(12-14-25)24-18-7-4-8-18/h1-3,5-6,9-10,15,18-19,24H,4,7-8,11-14H2
InChIKeyBPFDMRIBQGYWAK-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.24
Rot. Bonds4

About [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone

[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone (PubChem CID 146140219) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
PubChem CID146140219
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1F)N1CCC(NC2CCC2)CC1
InChIInChI=1S/C22H25FN2O/c23-21-15-17(16-5-2-1-3-6-16)9-10-20(21)22(26)25-13-11-19(12-14-25)24-18-7-4-8-18/h1-3,5-6,9-10,15,18-19,24H,4,7-8,11-14H2
InChIKeyBPFDMRIBQGYWAK-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143120198
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride
CID 119623469
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
4-(3-cyclobutylphenyl)-2-fluorobenzoic acid
CID 114605034
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 97353146
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone?
The IUPAC name of [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone (CID 146140219) is [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone.
What is the SMILES notation for [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone?
The canonical SMILES for [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1F)N1CCC(NC2CCC2)CC1.
What is the InChIKey of [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone?
The InChIKey is BPFDMRIBQGYWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-21-15-17(16-5-2-1-3-6-16)9-10-20(21)22(26)25-13-11-19(12-14-25)24-18-7-4-8-18/h1-3,5-6,9-10,15,18-19,24H,4,7-8,11-14H2.
What are the key properties of [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone?
[4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone has a molecular weight of 352.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylamino)piperidin-1-yl]-(2-fluoro-4-phenylphenyl)methanone is sourced from PubChem (CID 146140219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).