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

C17H33N3O2 — CID 112542523

IUPACN-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(=O)NCCN1CC(NC(=O)C(C)(C)C)CC(C(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-12(2)14-9-15(19-16(22)17(4,5)6)11-20(10-14)8-7-18-13(3)21/h12,14-15H,7-11H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyAEZJQFVMWGWVEV-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.63
Rot. Bonds5

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

N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542523) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542523
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(=O)NCCN1CC(NC(=O)C(C)(C)C)CC(C(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-12(2)14-9-15(19-16(22)17(4,5)6)11-20(10-14)8-7-18-13(3)21/h12,14-15H,7-11H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyAEZJQFVMWGWVEV-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-acetamido-5-(1-hydroxyethyl)piperidin-1-yl]ethyl]acetamide
CID 112542079
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
N-[2-[3-methyl-5-(methylamino)piperidin-1-yl]ethyl]acetamide
CID 83990134
N-[1-acetyl-5-(1-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542253
N-[2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethyl]acetamide
CID 83994814
1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
CID 83996201
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542523) is N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide is CC(=O)NCCN1CC(NC(=O)C(C)(C)C)CC(C(C)C)C1.
What is the InChIKey of N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is AEZJQFVMWGWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-12(2)14-9-15(19-16(22)17(4,5)6)11-20(10-14)8-7-18-13(3)21/h12,14-15H,7-11H2,1-6H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(2-acetamidoethyl)-5-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 1.63, 5 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-propan-2-ylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).