N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide

C19H30N2O — CID 112542121

IUPACN-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide
SMILESCCN1CC(Cc2ccccc2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C19H30N2O/c1-5-21-13-16(11-15-9-7-6-8-10-15)12-17(14-21)20-18(22)19(2,3)4/h6-10,16-17H,5,11-14H2,1-4H3,(H,20,22)
InChIKeyVBORUDMRRRWNKN-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.10
Rot. Bonds4

About N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide

N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide (PubChem CID 112542121) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide
PubChem CID112542121
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide
SMILESCCN1CC(Cc2ccccc2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C19H30N2O/c1-5-21-13-16(11-15-9-7-6-8-10-15)12-17(14-21)20-18(22)19(2,3)4/h6-10,16-17H,5,11-14H2,1-4H3,(H,20,22)
InChIKeyVBORUDMRRRWNKN-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989565
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
CID 112543025
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
CID 46829957
N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542187
2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83994003

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide (CID 112542121) is N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide is CCN1CC(Cc2ccccc2)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is VBORUDMRRRWNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-21-13-16(11-15-9-7-6-8-10-15)12-17(14-21)20-18(22)19(2,3)4/h6-10,16-17H,5,11-14H2,1-4H3,(H,20,22).
What are the key properties of N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide?
N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 302.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 112542121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).