N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide

C19H38N2O — CID 112542345

IUPACN-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCC(C)N1CC(CC(C)(C)C)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C19H38N2O/c1-9-14(2)21-12-15(11-18(3,4)5)10-16(13-21)20-17(22)19(6,7)8/h14-16H,9-13H2,1-8H3,(H,20,22)
InChIKeyOWZYLPLXIPQNBK-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.07
Rot. Bonds4

About N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542345) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542345
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCC(C)N1CC(CC(C)(C)C)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C19H38N2O/c1-9-14(2)21-12-15(11-18(3,4)5)10-16(13-21)20-17(22)19(6,7)8/h14-16H,9-13H2,1-8H3,(H,20,22)
InChIKeyOWZYLPLXIPQNBK-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544588
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542431
2,2-dimethyl-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)propanamide
CID 112542188
N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
CID 112541903
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542163
1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286
N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144

Frequently Asked Questions

What is the IUPAC name of N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 112542345) is N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide is CCC(C)N1CC(CC(C)(C)C)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is OWZYLPLXIPQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-9-14(2)21-12-15(11-18(3,4)5)10-16(13-21)20-17(22)19(6,7)8/h14-16H,9-13H2,1-8H3,(H,20,22).
What are the key properties of N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 310.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).