N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

C19H25Cl2N3O — CID 161146408

IUPACN-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccccc3)c2)CC1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-22-12-10-16(11-13-22)20-17-8-5-9-18(14-17)21-19(23)15-6-3-2-4-7-15;;/h2-9,14,16,20H,10-13H2,1H3,(H,21,23);2*1H
InChIKeyUOCNBPXTHOKLQS-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.29
Rot. Bonds4

About N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (PubChem CID 161146408) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
PubChem CID161146408
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC NameN-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccccc3)c2)CC1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-22-12-10-16(11-13-22)20-17-8-5-9-18(14-17)21-19(23)15-6-3-2-4-7-15;;/h2-9,14,16,20H,10-13H2,1H3,(H,21,23);2*1H
InChIKeyUOCNBPXTHOKLQS-UHFFFAOYSA-N
XLogP4.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
CID 87211381
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-(4-anilinopiperidin-1-yl)benzamide
CID 175169072
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The IUPAC name of N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (CID 161146408) is N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The canonical SMILES for N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is CN1CCC(Nc2cccc(NC(=O)c3ccccc3)c2)CC1.Cl.Cl.
What is the InChIKey of N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The InChIKey is UOCNBPXTHOKLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-22-12-10-16(11-13-22)20-17-8-5-9-18(14-17)21-19(23)15-6-3-2-4-7-15;;/h2-9,14,16,20H,10-13H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 161146408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).