1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone

C17H24N2O — CID 43745998

IUPAC1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C17H24N2O/c1-13(20)19-9-7-16(8-10-19)18-17-11-15(12-17)14-5-3-2-4-6-14/h2-6,15-18H,7-12H2,1H3
InChIKeyGICYALRVAXVEGV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds3

About 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone

1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone (PubChem CID 43745998) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
PubChem CID43745998
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C17H24N2O/c1-13(20)19-9-7-16(8-10-19)18-17-11-15(12-17)14-5-3-2-4-6-14/h2-6,15-18H,7-12H2,1H3
InChIKeyGICYALRVAXVEGV-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
CID 43746005
1-ethyl-N-(3-phenylcyclobutyl)piperidin-4-amine
CID 54917521
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
3-(cyclopropylamino)-5-phenylpiperidine-1-carboxamide
CID 83991625
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
(1S,6S)-9-methyl-N-(3-phenylcyclobutyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129423882
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
3-(cyclododecylamino)-5-phenylcyclohexan-1-ol
CID 155454677
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-[[3-(4-fluorophenyl)cyclobutyl]amino]piperidin-1-yl]-3-methoxypropan-1-one
CID 75502753
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
CID 158544804

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone (CID 43745998) is 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CC(c3ccccc3)C2)CC1.
What is the InChIKey of 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone?
The InChIKey is GICYALRVAXVEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(20)19-9-7-16(8-10-19)18-17-11-15(12-17)14-5-3-2-4-6-14/h2-6,15-18H,7-12H2,1H3.
What are the key properties of 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone?
1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43745998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).