2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride

C17H28ClN3O — CID 120775307

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)c1ccccc1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(20-11-10-15(18)17(2,3)12-20)16(21)19(4)14-8-6-5-7-9-14;/h5-9,13,15H,10-12,18H2,1-4H3;1H
InChIKeyFCIBJNSDPAFKOH-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride (PubChem CID 120775307) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
PubChem CID120775307
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)c1ccccc1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(20-11-10-15(18)17(2,3)12-20)16(21)19(4)14-8-6-5-7-9-14;/h5-9,13,15H,10-12,18H2,1-4H3;1H
InChIKeyFCIBJNSDPAFKOH-UHFFFAOYSA-N
XLogP2.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride 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-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
CID 120772553
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120776079
N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47708434
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120775248
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride (CID 120775307) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride is CC(C(=O)N(C)c1ccccc1)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride?
The InChIKey is FCIBJNSDPAFKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-13(20-11-10-15(18)17(2,3)12-20)16(21)19(4)14-8-6-5-7-9-14;/h5-9,13,15H,10-12,18H2,1-4H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120775307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).