1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one

C21H29ClN2O3 — CID 24817006

IUPAC1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C21H29ClN2O3/c1-27-15-17-9-11-23(12-10-17)21(26)18-4-7-20(25)24(14-18)13-8-16-2-5-19(22)6-3-16/h2-3,5-6,17-18H,4,7-15H2,1H3
InChIKeyHIXSARLCLUDBBN-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one

1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24817006) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24817006
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C21H29ClN2O3/c1-27-15-17-9-11-23(12-10-17)21(26)18-4-7-20(25)24(14-18)13-8-16-2-5-19(22)6-3-16/h2-3,5-6,17-18H,4,7-15H2,1H3
InChIKeyHIXSARLCLUDBBN-UHFFFAOYSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-3-carboxamide
CID 20968302
1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
CID 24791565
5-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793807
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
5-(1,2-Oxazinan-2-ylcarbonyl)-1-(2-phenylethyl)-2-piperidinone
CID 24819472
(S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid dimethylamide
CID 44333131
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24792085
Ethyl 4-{[1-(4-chlorobenzyl)-6-oxo-3-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 24816743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (CID 24817006) is 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is COCC1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is HIXSARLCLUDBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3/c1-27-15-17-9-11-23(12-10-17)21(26)18-4-7-20(25)24(14-18)13-8-16-2-5-19(22)6-3-16/h2-3,5-6,17-18H,4,7-15H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 392.93 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24817006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).