2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide

C17H33N3O — CID 82731953

IUPAC2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
SMILESCCC1CCCN(CC(=O)NC2CCCCCC2)C1CN
InChIInChI=1S/C17H33N3O/c1-2-14-8-7-11-20(16(14)12-18)13-17(21)19-15-9-5-3-4-6-10-15/h14-16H,2-13,18H2,1H3,(H,19,21)
InChIKeyPFFUXCXOVJKSJA-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide (PubChem CID 82731953) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
PubChem CID82731953
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
SMILESCCC1CCCN(CC(=O)NC2CCCCCC2)C1CN
InChIInChI=1S/C17H33N3O/c1-2-14-8-7-11-20(16(14)12-18)13-17(21)19-15-9-5-3-4-6-10-15/h14-16H,2-13,18H2,1H3,(H,19,21)
InChIKeyPFFUXCXOVJKSJA-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide 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

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
CID 82737150
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
CID 82736942
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 63763550
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
CID 81458998
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide (CID 82731953) is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide is CCC1CCCN(CC(=O)NC2CCCCCC2)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide?
The InChIKey is PFFUXCXOVJKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-14-8-7-11-20(16(14)12-18)13-17(21)19-15-9-5-3-4-6-10-15/h14-16H,2-13,18H2,1H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide?
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 82731953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).