1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one

C16H30N2O — CID 64747797

IUPAC1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C2CCCC(CC)C2)C1=O
InChIInChI=1S/C16H30N2O/c1-3-10-17-15-9-6-11-18(16(15)19)14-8-5-7-13(4-2)12-14/h13-15,17H,3-12H2,1-2H3
InChIKeyBYRKAKXDGARAAQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one

1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one (PubChem CID 64747797) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one
PubChem CID64747797
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C2CCCC(CC)C2)C1=O
InChIInChI=1S/C16H30N2O/c1-3-10-17-15-9-6-11-18(16(15)19)14-8-5-7-13(4-2)12-14/h13-15,17H,3-12H2,1-2H3
InChIKeyBYRKAKXDGARAAQ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one
CID 64747595
2-(3-ethylcyclohexyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944368
3-ethyl-1-(3-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64973427
1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 114129785
1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766
1-(3,3-dimethylcyclopentyl)-3-(propylamino)pyrrolidin-2-one
CID 114541375
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
1-(2,3-dihydro-1H-inden-2-yl)-3-(ethylamino)piperidin-2-one
CID 107849751
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one (CID 64747797) is 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(C2CCCC(CC)C2)C1=O.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one?
The InChIKey is BYRKAKXDGARAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-10-17-15-9-6-11-18(16(15)19)14-8-5-7-13(4-2)12-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one?
1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 64747797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).