N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide

C18H32N2O3 — CID 164605079

IUPACN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-14(23-13-16-9-5-3-6-10-16)17(19-15(2)21)18(22)20-11-7-4-8-12-20/h14,16-17H,3-13H2,1-2H3,(H,19,21)
InChIKeyTVYICHTYIRYEIP-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide

N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide (PubChem CID 164605079) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
PubChem CID164605079
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-14(23-13-16-9-5-3-6-10-16)17(19-15(2)21)18(22)20-11-7-4-8-12-20/h14,16-17H,3-13H2,1-2H3,(H,19,21)
InChIKeyTVYICHTYIRYEIP-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.49
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-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide (CID 164605079) is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The InChIKey is TVYICHTYIRYEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(23-13-16-9-5-3-6-10-16)17(19-15(2)21)18(22)20-11-7-4-8-12-20/h14,16-17H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 164605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).