3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one

C16H23N3O — CID 115379175

IUPAC3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
SMILESCN(C)c1cccc(N2CCCC(NC3CC3)C2=O)c1
InChIInChI=1S/C16H23N3O/c1-18(2)13-5-3-6-14(11-13)19-10-4-7-15(16(19)20)17-12-8-9-12/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3
InChIKeyFYCAOQJTGGPMJK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.00
Rot. Bonds4

About 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one

3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one (PubChem CID 115379175) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
PubChem CID115379175
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
SMILESCN(C)c1cccc(N2CCCC(NC3CC3)C2=O)c1
InChIInChI=1S/C16H23N3O/c1-18(2)13-5-3-6-14(11-13)19-10-4-7-15(16(19)20)17-12-8-9-12/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3
InChIKeyFYCAOQJTGGPMJK-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-[3-(dimethylamino)-4-methylphenyl]pyrrolidin-2-one
CID 115379182
1-(3-bromo-5-methoxyphenyl)-3-(cyclopropylamino)piperidin-2-one
CID 82859484
3-(cyclopropylamino)-1-(3,5-dichloro-4-fluorophenyl)piperidin-2-one
CID 107579720
1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione
CID 113297934
2-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]-6-methylbenzonitrile
CID 107801583
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
3-(2-iminopyrrolidin-1-yl)-N,N-dimethylaniline
CID 115378503
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
1-[4-(dimethylamino)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 54973015

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one (CID 115379175) is 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one is CN(C)c1cccc(N2CCCC(NC3CC3)C2=O)c1.
What is the InChIKey of 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one?
The InChIKey is FYCAOQJTGGPMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(2)13-5-3-6-14(11-13)19-10-4-7-15(16(19)20)17-12-8-9-12/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one?
3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one is sourced from PubChem (CID 115379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).