2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride

C20H27Cl2N3O — CID 119946472

IUPAC2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(NC(=O)c3ccccc3N)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-10-12-23(13-11-15)14-16-6-8-17(9-7-16)22-20(24)18-4-2-3-5-19(18)21;;/h2-9,15H,10-14,21H2,1H3,(H,22,24);2*1H
InChIKeyIHWWQNSRCIJTJY-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.60
Rot. Bonds4

About 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride

2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride (PubChem CID 119946472) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
PubChem CID119946472
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCC1CCN(Cc2ccc(NC(=O)c3ccccc3N)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-10-12-23(13-11-15)14-16-6-8-17(9-7-16)22-20(24)18-4-2-3-5-19(18)21;;/h2-9,15H,10-14,21H2,1H3,(H,22,24);2*1H
InChIKeyIHWWQNSRCIJTJY-UHFFFAOYSA-N
XLogP4.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 54.60
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-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride (CID 119946472) is 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride is CC1CCN(Cc2ccc(NC(=O)c3ccccc3N)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The InChIKey is IHWWQNSRCIJTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-15-10-12-23(13-11-15)14-16-6-8-17(9-7-16)22-20(24)18-4-2-3-5-19(18)21;;/h2-9,15H,10-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).