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

C20H27Cl2N3O — CID 119946474

IUPAC2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2ccccc2N)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-6-4-5-13-23(15)14-16-9-11-17(12-10-16)22-20(24)18-7-2-3-8-19(18)21;;/h2-3,7-12,15H,4-6,13-14,21H2,1H3,(H,22,24);2*1H
InChIKeyJYCIEWQJPAPAOS-UHFFFAOYSA-N
MW396.36 g/mol
LogP4.74
Rot. Bonds4

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

2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride (PubChem CID 119946474) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
PubChem CID119946474
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2ccccc2N)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-6-4-5-13-23(15)14-16-9-11-17(12-10-16)22-20(24)18-7-2-3-8-19(18)21;;/h2-3,7-12,15H,4-6,13-14,21H2,1H3,(H,22,24);2*1H
InChIKeyJYCIEWQJPAPAOS-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
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

2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 112828644
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 94806275
4-bromo-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562612
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469
4-(aminomethyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride (CID 119946474) is 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride is CC1CCCCN1Cc1ccc(NC(=O)c2ccccc2N)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The InChIKey is JYCIEWQJPAPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-15-6-4-5-13-23(15)14-16-9-11-17(12-10-16)22-20(24)18-7-2-3-8-19(18)21;;/h2-3,7-12,15H,4-6,13-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 4.74, 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-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).