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

C20H34N2O3 — CID 170758371

IUPACN-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OC1(C2CCCCC2)CC1
InChIInChI=1S/C20H34N2O3/c1-15(25-20(11-12-20)17-9-5-3-6-10-17)18(21-16(2)23)19(24)22-13-7-4-8-14-22/h15,17-18H,3-14H2,1-2H3,(H,21,23)
InChIKeyNKWWKWAERHEDLE-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.02
Rot. Bonds6

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

N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide (PubChem CID 170758371) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
PubChem CID170758371
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC NameN-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OC1(C2CCCCC2)CC1
InChIInChI=1S/C20H34N2O3/c1-15(25-20(11-12-20)17-9-5-3-6-10-17)18(21-16(2)23)19(24)22-13-7-4-8-14-22/h15,17-18H,3-14H2,1-2H3,(H,21,23)
InChIKeyNKWWKWAERHEDLE-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-cyclohexylethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 164604068
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 31006518
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
(1-cyclohexylcyclopropyl) acetate
CID 91131251
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
CID 60931755

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide (CID 170758371) is N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCCC1)C(C)OC1(C2CCCCC2)CC1.
What is the InChIKey of N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The InChIKey is NKWWKWAERHEDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-15(25-20(11-12-20)17-9-5-3-6-10-17)18(21-16(2)23)19(24)22-13-7-4-8-14-22/h15,17-18H,3-14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide has a molecular weight of 350.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohexylcyclopropyl)oxy-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 170758371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).