N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C17H33N3O2 — CID 119572161

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-6-17(7-2,12-18)19-14(21)13-9-8-10-20(11-13)15(22)16(3,4)5/h13H,6-12,18H2,1-5H3,(H,19,21)
InChIKeySOZYBNIEAZFYRW-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.90
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 119572161) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID119572161
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-6-17(7-2,12-18)19-14(21)13-9-8-10-20(11-13)15(22)16(3,4)5/h13H,6-12,18H2,1-5H3,(H,19,21)
InChIKeySOZYBNIEAZFYRW-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide
CID 64558362
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 119572161) is N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CCC(CC)(CN)NC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is SOZYBNIEAZFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-17(7-2,12-18)19-14(21)13-9-8-10-20(11-13)15(22)16(3,4)5/h13H,6-12,18H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119572161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).