N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C21H38N4O3 — CID 56718926

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(=O)N(CCN3CCOCC3)C2)CCCCC1
InChIInChI=1S/C21H38N4O3/c1-23(2)21(8-4-3-5-9-21)17-22-20(27)18-6-7-19(26)25(16-18)11-10-24-12-14-28-15-13-24/h18H,3-17H2,1-2H3,(H,22,27)
InChIKeyWEBNRSNKQLOMIU-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 56718926) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID56718926
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(=O)N(CCN3CCOCC3)C2)CCCCC1
InChIInChI=1S/C21H38N4O3/c1-23(2)21(8-4-3-5-9-21)17-22-20(27)18-6-7-19(26)25(16-18)11-10-24-12-14-28-15-13-24/h18H,3-17H2,1-2H3,(H,22,27)
InChIKeyWEBNRSNKQLOMIU-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
CID 95195230
(3R)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 30853089
(3R)-N-(3-methylsulfanylpropyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 28768875
(3R)-1-(2-morpholin-4-ylethyl)-6-oxo-N-(2H-tetrazol-5-ylmethyl)piperidine-3-carboxamide
CID 97142337
(3R)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94090965
(3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 25293036
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56708569
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 25279526
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 29257686
1-(2-morpholin-4-ylethyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 45200195

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 56718926) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is CN(C)C1(CNC(=O)C2CCC(=O)N(CCN3CCOCC3)C2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WEBNRSNKQLOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-23(2)21(8-4-3-5-9-21)17-22-20(27)18-6-7-19(26)25(16-18)11-10-24-12-14-28-15-13-24/h18H,3-17H2,1-2H3,(H,22,27).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 56718926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).