N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide

C21H38N2O3 — CID 170757790

IUPACN-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(C(=O)N1CC(C)CC(C)C1)C(C)OCC1CCCCC1
InChIInChI=1S/C21H38N2O3/c1-5-19(24)22-20(17(4)26-14-18-9-7-6-8-10-18)21(25)23-12-15(2)11-16(3)13-23/h15-18,20H,5-14H2,1-4H3,(H,22,24)
InChIKeyLZULOAAXTPKDIL-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.37
Rot. Bonds7

About N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide

N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide (PubChem CID 170757790) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide
PubChem CID170757790
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC NameN-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(C(=O)N1CC(C)CC(C)C1)C(C)OCC1CCCCC1
InChIInChI=1S/C21H38N2O3/c1-5-19(24)22-20(17(4)26-14-18-9-7-6-8-10-18)21(25)23-12-15(2)11-16(3)13-23/h15-18,20H,5-14H2,1-4H3,(H,22,24)
InChIKeyLZULOAAXTPKDIL-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S,9S,12S,15S,18R,19R)-9-(aminomethyl)-12-cyclohexyl-6-[3-(dimethylamino)propoxymethyl]-19-hexyl-3,16,18-trimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-5,8,11,14,17-pentone
CID 138478580
(3R,6S,9S,12S,15S,18R,19R)-9-(aminomethyl)-6-(3-aminopropoxymethyl)-12-cyclohexyl-19-hexyl-3,16,18-trimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-5,8,11,14,17-pentone
CID 138478945
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methylcyclohexyl)propanamide
CID 45840503
4-(cyclopentanecarbonyl)-8-methyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110645
1-[2-(2-Methylcyclohexyl)oxyethyl]piperidine-2-carboxamide
CID 53522878
N-[(2-hydroxycyclohexyl)methyl]morpholine-3-carboxamide
CID 65519899
4-[2-(2-Methylcyclohexyl)oxyethyl]morpholine-3-carboxamide
CID 136519716
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide;ethane
CID 164603899
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164603900
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 164604108
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-oxobutan-2-yl]acetamide
CID 164604383

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide (CID 170757790) is N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide is CCC(=O)NC(C(=O)N1CC(C)CC(C)C1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide?
The InChIKey is LZULOAAXTPKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-5-19(24)22-20(17(4)26-14-18-9-7-6-8-10-18)21(25)23-12-15(2)11-16(3)13-23/h15-18,20H,5-14H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide?
N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide has a molecular weight of 366.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 170757790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).