N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide

C17H32N2O2 — CID 112542898

IUPACN-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(C(C)O)CN(C(C)C2CCC2)C1
InChIInChI=1S/C17H32N2O2/c1-11(2)17(21)18-16-8-15(13(4)20)9-19(10-16)12(3)14-6-5-7-14/h11-16,20H,5-10H2,1-4H3,(H,18,21)
InChIKeyWNDZMGZUHYQJBN-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide

N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 112542898) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID112542898
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(C(C)O)CN(C(C)C2CCC2)C1
InChIInChI=1S/C17H32N2O2/c1-11(2)17(21)18-16-8-15(13(4)20)9-19(10-16)12(3)14-6-5-7-14/h11-16,20H,5-10H2,1-4H3,(H,18,21)
InChIKeyWNDZMGZUHYQJBN-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclopropylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]ethanol
CID 83991863
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542393
N-(1-cyclopropyl-5-propan-2-ylpiperidin-3-yl)-2-methylpropanamide
CID 112542811
N-[1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)piperidin-3-yl]acetamide
CID 112541988
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
N-cyclopropyl-1-(1-cyclopropylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83991856
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide (CID 112542898) is N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CC(C(C)O)CN(C(C)C2CCC2)C1.
What is the InChIKey of N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is WNDZMGZUHYQJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)17(21)18-16-8-15(13(4)20)9-19(10-16)12(3)14-6-5-7-14/h11-16,20H,5-10H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide?
N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 296.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).