N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride

C16H22Cl3N3O2 — CID 119469184

IUPACN-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C16H21Cl2N3O2.ClH/c1-10(16(23)21-8-3-2-5-11(21)9-19)20-15(22)12-6-4-7-13(17)14(12)18;/h4,6-7,10-11H,2-3,5,8-9,19H2,1H3,(H,20,22);1H
InChIKeySZTNXUIVEZSGSQ-UHFFFAOYSA-N
MW394.73 g/mol
LogP2.87
Rot. Bonds4

About N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride

N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride (PubChem CID 119469184) has the molecular formula C16H22Cl3N3O2 and a molecular weight of 394.73 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
PubChem CID119469184
Molecular FormulaC16H22Cl3N3O2
Molecular Weight394.73 g/mol
Exact Mass393.08
IUPAC NameN-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C16H21Cl2N3O2.ClH/c1-10(16(23)21-8-3-2-5-11(21)9-19)20-15(22)12-6-4-7-13(17)14(12)18;/h4,6-7,10-11H,2-3,5,8-9,19H2,1H3,(H,20,22);1H
InChIKeySZTNXUIVEZSGSQ-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride
CID 119634053
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119634260
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119631111
2,3-dichloro-N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 89268352
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307063
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride (CID 119469184) is N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCCC1CN.Cl.
What is the InChIKey of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
The InChIKey is SZTNXUIVEZSGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2.ClH/c1-10(16(23)21-8-3-2-5-11(21)9-19)20-15(22)12-6-4-7-13(17)14(12)18;/h4,6-7,10-11H,2-3,5,8-9,19H2,1H3,(H,20,22);1H.
What are the key properties of N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride?
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride has a molecular weight of 394.73 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119469184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).