4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride

C21H25Cl2N3O2 — CID 119283706

IUPAC4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(CN)cc2)cc1Cl.Cl
InChIInChI=1S/C21H24ClN3O2.ClH/c1-14-4-2-3-11-25(14)21(27)18-10-9-17(12-19(18)22)24-20(26)16-7-5-15(13-23)6-8-16;/h5-10,12,14H,2-4,11,13,23H2,1H3,(H,24,26);1H
InChIKeyWXPNGJYBVHGTBA-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.49
Rot. Bonds4

About 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride

4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119283706) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119283706
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(CN)cc2)cc1Cl.Cl
InChIInChI=1S/C21H24ClN3O2.ClH/c1-14-4-2-3-11-25(14)21(27)18-10-9-17(12-19(18)22)24-20(26)16-7-5-15(13-23)6-8-16;/h5-10,12,14H,2-4,11,13,23H2,1H3,(H,24,26);1H
InChIKeyWXPNGJYBVHGTBA-UHFFFAOYSA-N
XLogP4.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922768
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321
(2S,5R)-5-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786482
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566
4-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133661
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 119949567
N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-cyanospiro[2.4]heptane-2-carboxamide
CID 128546568
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119283706) is 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)c2ccc(CN)cc2)cc1Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is WXPNGJYBVHGTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.ClH/c1-14-4-2-3-11-25(14)21(27)18-10-9-17(12-19(18)22)24-20(26)16-7-5-15(13-23)6-8-16;/h5-10,12,14H,2-4,11,13,23H2,1H3,(H,24,26);1H.
What are the key properties of 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 422.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119283706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).