1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one

C18H25NO — CID 116562391

IUPAC1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H25NO/c20-18(11-6-14-3-2-12-19-13-14)17-9-7-16(8-10-17)15-4-1-5-15/h7-10,14-15,19H,1-6,11-13H2
InChIKeyROAONEVUVXXAAF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one

1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one (PubChem CID 116562391) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
PubChem CID116562391
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
SMILESO=C(CCC1CCCNC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H25NO/c20-18(11-6-14-3-2-12-19-13-14)17-9-7-16(8-10-17)15-4-1-5-15/h7-10,14-15,19H,1-6,11-13H2
InChIKeyROAONEVUVXXAAF-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562355
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
CID 106655243

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one (CID 116562391) is 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one is O=C(CCC1CCCNC1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is ROAONEVUVXXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-18(11-6-14-3-2-12-19-13-14)17-9-7-16(8-10-17)15-4-1-5-15/h7-10,14-15,19H,1-6,11-13H2.
What are the key properties of 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one?
1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 116562391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).