N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride

C26H32Cl2N4O — CID 162320964

IUPACN-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCN(C)c1cc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)ccn1.Cl.Cl
InChIInChI=1S/C26H30N4O.2ClH/c1-29(2)25-18-23(13-14-27-25)28-26(31)21-11-12-24(20-9-5-3-6-10-20)22(17-21)19-30-15-7-4-8-16-30;;/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,27,28,31);2*1H
InChIKeyDWQLBNSOGDMZDE-UHFFFAOYSA-N
MW487.48 g/mol
LogP5.90
Rot. Bonds6

About N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride

N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride (PubChem CID 162320964) has the molecular formula C26H32Cl2N4O and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride
PubChem CID162320964
Molecular FormulaC26H32Cl2N4O
Molecular Weight487.48 g/mol
Exact Mass486.20
IUPAC NameN-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCN(C)c1cc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)ccn1.Cl.Cl
InChIInChI=1S/C26H30N4O.2ClH/c1-29(2)25-18-23(13-14-27-25)28-26(31)21-11-12-24(20-9-5-3-6-10-20)22(17-21)19-30-15-7-4-8-16-30;;/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,27,28,31);2*1H
InChIKeyDWQLBNSOGDMZDE-UHFFFAOYSA-N
XLogP5.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162337651
N-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide
CID 126635585
N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162338003
N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162308957
1-[[5-(1,3-benzothiazol-5-ylcarbamoyl)-2-phenylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 23112227
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743895
2,6-dichloro-N-[2-(dimethylamino)-4-pyridinyl]benzamide
CID 59618587
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
N-(1,3-benzothiazol-5-yl)-3-[(cyclohexylamino)methyl]-4-phenylbenzamide;hydrochloride
CID 162340024

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride (CID 162320964) is N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride is CN(C)c1cc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)ccn1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride?
The InChIKey is DWQLBNSOGDMZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O.2ClH/c1-29(2)25-18-23(13-14-27-25)28-26(31)21-11-12-24(20-9-5-3-6-10-20)22(17-21)19-30-15-7-4-8-16-30;;/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,27,28,31);2*1H.
What are the key properties of N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride?
N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride has a molecular weight of 487.48 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 162320964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).