N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide

C22H31ClN2O3 — CID 78820921

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCCC1CCO)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C22H31ClN2O3/c1-24(21(28)16-25-14-7-5-8-17(25)12-15-26)22(13-6-4-11-20(22)27)18-9-2-3-10-19(18)23/h2-3,9-10,17,26H,4-8,11-16H2,1H3
InChIKeyAXGOGKYXPGMNIA-UHFFFAOYSA-N
MW406.95 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 78820921) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID78820921
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCCCC1CCO)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C22H31ClN2O3/c1-24(21(28)16-25-14-7-5-8-17(25)12-15-26)22(13-6-4-11-20(22)27)18-9-2-3-10-19(18)23/h2-3,9-10,17,26H,4-8,11-16H2,1H3
InChIKeyAXGOGKYXPGMNIA-UHFFFAOYSA-N
XLogP3.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78825833
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 55377267
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
propan-2-yl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 170263505
N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40967634
N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 25481005
2-[[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 78821414
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide
CID 2998461
dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 166087043
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46641953
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 4-oxopentanoate
CID 158267948
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 111113418

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide (CID 78820921) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCCCC1CCO)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is AXGOGKYXPGMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O3/c1-24(21(28)16-25-14-7-5-8-17(25)12-15-26)22(13-6-4-11-20(22)27)18-9-2-3-10-19(18)23/h2-3,9-10,17,26H,4-8,11-16H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 406.95 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78820921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).