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

C17H33N3O2 — CID 112542522

IUPACN-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCCC1CC(NC(=O)C(C)(C)C)CN(CCNC(C)=O)C1
InChIInChI=1S/C17H33N3O2/c1-6-7-14-10-15(19-16(22)17(3,4)5)12-20(11-14)9-8-18-13(2)21/h14-15H,6-12H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyQTEJCQFWHROYAD-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.78
Rot. Bonds6

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

N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542522) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542522
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCCCC1CC(NC(=O)C(C)(C)C)CN(CCNC(C)=O)C1
InChIInChI=1S/C17H33N3O2/c1-6-7-14-10-15(19-16(22)17(3,4)5)12-20(11-14)9-8-18-13(2)21/h14-15H,6-12H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyQTEJCQFWHROYAD-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543607
N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
CID 83992738
N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542523
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
N-[5-(2,2-dimethylpropyl)-1-propylpiperidin-3-yl]acetamide
CID 112541700
N-[2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethyl]acetamide
CID 83994814
N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542431
N-[5-(2-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542163
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
N-[2-[3-(cyclopentylmethylamino)-5-ethylpiperidin-1-yl]ethyl]acetamide
CID 83998272

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542522) is N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide is CCCC1CC(NC(=O)C(C)(C)C)CN(CCNC(C)=O)C1.
What is the InChIKey of N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is QTEJCQFWHROYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-7-14-10-15(19-16(22)17(3,4)5)12-20(11-14)9-8-18-13(2)21/h14-15H,6-12H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).