2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride

C19H31ClN4O3 — CID 120774634

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C19H30N4O3.ClH/c1-19(2)13-23(9-8-16(19)20)12-18(25)22(3)11-17(24)21-14-6-5-7-15(10-14)26-4;/h5-7,10,16H,8-9,11-13,20H2,1-4H3,(H,21,24);1H
InChIKeyBYTPDNRIJNTQGA-UHFFFAOYSA-N
MW398.94 g/mol
LogP1.57
Rot. Bonds6

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride (PubChem CID 120774634) has the molecular formula C19H31ClN4O3 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
PubChem CID120774634
Molecular FormulaC19H31ClN4O3
Molecular Weight398.94 g/mol
Exact Mass398.21
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C19H30N4O3.ClH/c1-19(2)13-23(9-8-16(19)20)12-18(25)22(3)11-17(24)21-14-6-5-7-15(10-14)26-4;/h5-7,10,16H,8-9,11-13,20H2,1-4H3,(H,21,24);1H
InChIKeyBYTPDNRIJNTQGA-UHFFFAOYSA-N
XLogP1.57
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8576337
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 60513329
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 34009738
2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 55840649
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25336323

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride (CID 120774634) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride is COc1cccc(NC(=O)CN(C)C(=O)CN2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride?
The InChIKey is BYTPDNRIJNTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.ClH/c1-19(2)13-23(9-8-16(19)20)12-18(25)22(3)11-17(24)21-14-6-5-7-15(10-14)26-4;/h5-7,10,16H,8-9,11-13,20H2,1-4H3,(H,21,24);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120774634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).