N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide

C18H34N2O2 — CID 112542404

IUPACN-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(N2CC(CCCO)CC(NC(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C18H34N2O2/c1-13-8-16(9-13)20-11-14(6-5-7-21)10-15(12-20)19-17(22)18(2,3)4/h13-16,21H,5-12H2,1-4H3,(H,19,22)
InChIKeySVDYSSJPTOEWIY-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.41
Rot. Bonds5

About N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542404) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542404
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(N2CC(CCCO)CC(NC(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C18H34N2O2/c1-13-8-16(9-13)20-11-14(6-5-7-21)10-15(12-20)19-17(22)18(2,3)4/h13-16,21H,5-12H2,1-4H3,(H,19,22)
InChIKeySVDYSSJPTOEWIY-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83999427
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542163
N-(1-cyclobutyl-5-methylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542384
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286
2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
CID 112542837
2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83995969
3-[1-cyclobutyl-5-(cyclopropylamino)piperidin-3-yl]propan-1-ol
CID 83991811
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
CID 112541751
3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83995289
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542404) is N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide is CC1CC(N2CC(CCCO)CC(NC(=O)C(C)(C)C)C2)C1.
What is the InChIKey of N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is SVDYSSJPTOEWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13-8-16(9-13)20-11-14(6-5-7-21)10-15(12-20)19-17(22)18(2,3)4/h13-16,21H,5-12H2,1-4H3,(H,19,22).
What are the key properties of N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 310.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypropyl)-1-(3-methylcyclobutyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).