[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone

C17H22ClNO — CID 59277648

IUPAC[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1
InChIInChI=1S/C17H22ClNO/c1-13-4-2-11-19(12-13)16(20)17(9-3-10-17)14-5-7-15(18)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyZIIKQROOMHMYKD-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.02
Rot. Bonds2

About [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone

[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 59277648) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID59277648
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1
InChIInChI=1S/C17H22ClNO/c1-13-4-2-11-19(12-13)16(20)17(9-3-10-17)14-5-7-15(18)8-6-14/h5-8,13H,2-4,9-12H2,1H3
InChIKeyZIIKQROOMHMYKD-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 70898167
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[1-(4-chlorophenyl)cyclopropyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679970
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxamide
CID 60607124
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
CID 70719580
3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 25448695

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone (CID 59277648) is [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZIIKQROOMHMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-13-4-2-11-19(12-13)16(20)17(9-3-10-17)14-5-7-15(18)8-6-14/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 291.82 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 59277648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).