N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide

C28H33N3O — CID 46054292

IUPACN-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C28H33N3O/c1-22-9-13-24(14-10-22)28(32)31(26-7-5-4-6-8-26)27-17-19-30(20-18-27)21-23-11-15-25(16-12-23)29(2)3/h4-16,27H,17-21H2,1-3H3
InChIKeyBGUYGEBLTCMUGH-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.37
Rot. Bonds6

About N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide

N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide (PubChem CID 46054292) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
PubChem CID46054292
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC NameN-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C28H33N3O/c1-22-9-13-24(14-10-22)28(32)31(26-7-5-4-6-8-26)27-17-19-30(20-18-27)21-23-11-15-25(16-12-23)29(2)3/h4-16,27H,17-21H2,1-3H3
InChIKeyBGUYGEBLTCMUGH-UHFFFAOYSA-N
XLogP5.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide
CID 46054625
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
4-methyl-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 42853358
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46054282
4-fluoro-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048142
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 42858227
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide?
The IUPAC name of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide (CID 46054292) is N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide?
The InChIKey is BGUYGEBLTCMUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-22-9-13-24(14-10-22)28(32)31(26-7-5-4-6-8-26)27-17-19-30(20-18-27)21-23-11-15-25(16-12-23)29(2)3/h4-16,27H,17-21H2,1-3H3.
What are the key properties of N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide?
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide has a molecular weight of 427.59 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 46054292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).