N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide

C16H30N2O2 — CID 112542393

IUPACN-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(O)C1CC(NC(=O)C(C)(C)C)CN(C2CCC2)C1
InChIInChI=1S/C16H30N2O2/c1-11(19)12-8-13(17-15(20)16(2,3)4)10-18(9-12)14-6-5-7-14/h11-14,19H,5-10H2,1-4H3,(H,17,20)
InChIKeyMAAIJHPCLPCOEW-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.77
Rot. Bonds3

About N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542393) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542393
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(O)C1CC(NC(=O)C(C)(C)C)CN(C2CCC2)C1
InChIInChI=1S/C16H30N2O2/c1-11(19)12-8-13(17-15(20)16(2,3)4)10-18(9-12)14-6-5-7-14/h11-14,19H,5-10H2,1-4H3,(H,17,20)
InChIKeyMAAIJHPCLPCOEW-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutyl-5-methylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542384
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
N-[5-(1-hydroxyethyl)-1-(2-methylpropanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542313
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol
CID 83999401
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635
N-(1-cyclopropyl-5-propan-2-ylpiperidin-3-yl)-2-methylpropanamide
CID 112542811
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
CID 112542898
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542393) is N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(O)C1CC(NC(=O)C(C)(C)C)CN(C2CCC2)C1.
What is the InChIKey of N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is MAAIJHPCLPCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(19)12-8-13(17-15(20)16(2,3)4)10-18(9-12)14-6-5-7-14/h11-14,19H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 282.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).