ethane;1-(3-ethylphenyl)piperidin-2-one

C15H23NO — CID 171523765

IUPACethane;1-(3-ethylphenyl)piperidin-2-one
SMILESCC.CCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C13H17NO.C2H6/c1-2-11-6-5-7-12(10-11)14-9-4-3-8-13(14)15;1-2/h5-7,10H,2-4,8-9H2,1H3;1-2H3
InChIKeyVUXOPLDTSBVMAN-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.79
Rot. Bonds2

About ethane;1-(3-ethylphenyl)piperidin-2-one

ethane;1-(3-ethylphenyl)piperidin-2-one (PubChem CID 171523765) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;1-(3-ethylphenyl)piperidin-2-one.

Molecular Properties

Compound Nameethane;1-(3-ethylphenyl)piperidin-2-one
PubChem CID171523765
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Nameethane;1-(3-ethylphenyl)piperidin-2-one
SMILESCC.CCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C13H17NO.C2H6/c1-2-11-6-5-7-12(10-11)14-9-4-3-8-13(14)15;1-2/h5-7,10H,2-4,8-9H2,1H3;1-2H3
InChIKeyVUXOPLDTSBVMAN-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959098
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
(2R)-2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 94669760
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylphenyl)piperidin-2-one?
The IUPAC name of ethane;1-(3-ethylphenyl)piperidin-2-one (CID 171523765) is ethane;1-(3-ethylphenyl)piperidin-2-one.
What is the SMILES notation for ethane;1-(3-ethylphenyl)piperidin-2-one?
The canonical SMILES for ethane;1-(3-ethylphenyl)piperidin-2-one is CC.CCc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of ethane;1-(3-ethylphenyl)piperidin-2-one?
The InChIKey is VUXOPLDTSBVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-2-11-6-5-7-12(10-11)14-9-4-3-8-13(14)15;1-2/h5-7,10H,2-4,8-9H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-ethylphenyl)piperidin-2-one?
ethane;1-(3-ethylphenyl)piperidin-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylphenyl)piperidin-2-one is sourced from PubChem (CID 171523765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).