2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride

C23H32ClN3O — CID 120776374

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
SMILESCC1(C)CN(CC(=O)NC(Cc2ccccc2)c2ccccc2)CCC1N.Cl
InChIInChI=1S/C23H31N3O.ClH/c1-23(2)17-26(14-13-21(23)24)16-22(27)25-20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18;/h3-12,20-21H,13-17,24H2,1-2H3,(H,25,27);1H
InChIKeySFNFTCFQPBOMNN-UHFFFAOYSA-N
MW401.98 g/mol
LogP3.57
Rot. Bonds6

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride (PubChem CID 120776374) has the molecular formula C23H32ClN3O and a molecular weight of 401.98 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
PubChem CID120776374
Molecular FormulaC23H32ClN3O
Molecular Weight401.98 g/mol
Exact Mass401.22
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
SMILESCC1(C)CN(CC(=O)NC(Cc2ccccc2)c2ccccc2)CCC1N.Cl
InChIInChI=1S/C23H31N3O.ClH/c1-23(2)17-26(14-13-21(23)24)16-22(27)25-20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18;/h3-12,20-21H,13-17,24H2,1-2H3,(H,25,27);1H
InChIKeySFNFTCFQPBOMNN-UHFFFAOYSA-N
XLogP3.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.98
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride
CID 120775645
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 120775231
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25377837
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120775947
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775661
1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570248
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 120774440
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride (CID 120776374) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride is CC1(C)CN(CC(=O)NC(Cc2ccccc2)c2ccccc2)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride?
The InChIKey is SFNFTCFQPBOMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.ClH/c1-23(2)17-26(14-13-21(23)24)16-22(27)25-20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18;/h3-12,20-21H,13-17,24H2,1-2H3,(H,25,27);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride has a molecular weight of 401.98 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 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-(1,2-diphenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120776374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).