N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride

C15H22ClN3O2 — CID 119945298

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
SMILESCC(=O)N1CCC(CNC(=O)c2ccccc2N)CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)18-8-6-12(7-9-18)10-17-15(20)13-4-2-3-5-14(13)16;/h2-5,12H,6-10,16H2,1H3,(H,17,20);1H
InChIKeyQBBRBHMYTSANMW-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.68
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride

N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride (PubChem CID 119945298) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
PubChem CID119945298
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
SMILESCC(=O)N1CCC(CNC(=O)c2ccccc2N)CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)18-8-6-12(7-9-18)10-17-15(20)13-4-2-3-5-14(13)16;/h2-5,12H,6-10,16H2,1H3,(H,17,20);1H
InChIKeyQBBRBHMYTSANMW-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(1-acetylpiperidin-4-yl)methyl]-5-amino-1-benzyl-3-methylpyrazole-4-carboxamide
CID 136541941
N-[(1-acetylpiperidin-4-yl)methyl]-3-amino-5-chloro-2-methanimidoylbenzamide
CID 121325886
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
CID 55844259
2-bromo-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]benzamide
CID 108921968
(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119945201
[2-[3-[(1-acetylpiperidin-4-yl)methylcarbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 67095650

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride (CID 119945298) is N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride is CC(=O)N1CCC(CNC(=O)c2ccccc2N)CC1.Cl.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride?
The InChIKey is QBBRBHMYTSANMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(19)18-8-6-12(7-9-18)10-17-15(20)13-4-2-3-5-14(13)16;/h2-5,12H,6-10,16H2,1H3,(H,17,20);1H.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride?
N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride is sourced from PubChem (CID 119945298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).