1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide

C23H32ClN3O3 — CID 78825833

IUPAC1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC(=O)N(C)C2(c3ccccc3Cl)CCCCC2=O)CC1
InChIInChI=1S/C23H32ClN3O3/c1-25(2)22(30)17-11-14-27(15-12-17)16-21(29)26(3)23(13-7-6-10-20(23)28)18-8-4-5-9-19(18)24/h4-5,8-9,17H,6-7,10-16H2,1-3H3
InChIKeyVHMYGFCOKMTBPL-UHFFFAOYSA-N
MW433.98 g/mol
LogP2.94
Rot. Bonds5

About 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide

1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 78825833) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID78825833
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Name1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC(=O)N(C)C2(c3ccccc3Cl)CCCCC2=O)CC1
InChIInChI=1S/C23H32ClN3O3/c1-25(2)22(30)17-11-14-27(15-12-17)16-21(29)26(3)23(13-7-6-10-20(23)28)18-8-4-5-9-19(18)24/h4-5,8-9,17H,6-7,10-16H2,1-3H3
InChIKeyVHMYGFCOKMTBPL-UHFFFAOYSA-N
XLogP2.94
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78821648
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 78820921
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
CID 55583850
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55670626
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 55377267
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide
CID 175063270
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55670412
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 42921185
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] propanoate
CID 55443861
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 139320616
4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
CID 2354551
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide (CID 78825833) is 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(CC(=O)N(C)C2(c3ccccc3Cl)CCCCC2=O)CC1.
What is the InChIKey of 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is VHMYGFCOKMTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3/c1-25(2)22(30)17-11-14-27(15-12-17)16-21(29)26(3)23(13-7-6-10-20(23)28)18-8-4-5-9-19(18)24/h4-5,8-9,17H,6-7,10-16H2,1-3H3.
What are the key properties of 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 433.98 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 78825833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).