N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide

C18H34N2O — CID 112542431

IUPACN-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCCC1CC(NC(=O)C(C)(C)C)CN(C(C)C2CC2)C1
InChIInChI=1S/C18H34N2O/c1-6-7-14-10-16(19-17(21)18(3,4)5)12-20(11-14)13(2)15-8-9-15/h13-16H,6-12H2,1-5H3,(H,19,21)
InChIKeyXNHNADZBVIHGEV-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.44
Rot. Bonds5

About N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542431) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542431
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCCC1CC(NC(=O)C(C)(C)C)CN(C(C)C2CC2)C1
InChIInChI=1S/C18H34N2O/c1-6-7-14-10-16(19-17(21)18(3,4)5)12-20(11-14)13(2)15-8-9-15/h13-16H,6-12H2,1-5H3,(H,19,21)
InChIKeyXNHNADZBVIHGEV-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542345
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
N-[1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)piperidin-3-yl]acetamide
CID 112541988
5-butyl-1-(1-cyclopropylethyl)-N-ethylpiperidin-3-amine
CID 83990582
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
3-[1-(1-cyclopropylethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990589
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542163
2,2-dimethyl-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)propanamide
CID 112542188
N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542487
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542431) is N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide is CCCC1CC(NC(=O)C(C)(C)C)CN(C(C)C2CC2)C1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is XNHNADZBVIHGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-6-7-14-10-16(19-17(21)18(3,4)5)12-20(11-14)13(2)15-8-9-15/h13-16H,6-12H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 294.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).