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

C21H29Cl2N3O — CID 120641536

IUPAC5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-15-9-11-24(12-10-15)14-17-4-7-19(8-5-17)23-21(25)20-13-18(22)6-3-16(20)2;;/h3-8,13,15H,9-12,14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyXFQUHHNQSUKJRO-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.91
Rot. Bonds4

About 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride

5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride (PubChem CID 120641536) has the molecular formula C21H29Cl2N3O and a molecular weight of 410.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
PubChem CID120641536
Molecular FormulaC21H29Cl2N3O
Molecular Weight410.39 g/mol
Exact Mass409.17
IUPAC Name5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-15-9-11-24(12-10-15)14-17-4-7-19(8-5-17)23-21(25)20-13-18(22)6-3-16(20)2;;/h3-8,13,15H,9-12,14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyXFQUHHNQSUKJRO-UHFFFAOYSA-N
XLogP4.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.91
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

5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride (CID 120641536) is 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
The InChIKey is XFQUHHNQSUKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.2ClH/c1-15-9-11-24(12-10-15)14-17-4-7-19(8-5-17)23-21(25)20-13-18(22)6-3-16(20)2;;/h3-8,13,15H,9-12,14,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 120641536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).