(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide

C30H32N4O — CID 44534666

IUPAC(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
SMILESCc1cc2nc(-c3ccc(/C=C/C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2cc1C
InChIInChI=1S/C30H32N4O/c1-21-18-27-28(19-22(21)2)33-30(32-27)25-11-8-23(9-12-25)10-13-29(35)31-26-14-16-34(17-15-26)20-24-6-4-3-5-7-24/h3-13,18-19,26H,14-17,20H2,1-2H3,(H,31,35)(H,32,33)/b13-10+
InChIKeyFPOURSOAOPHXCM-JLHYYAGUSA-N
MW464.61 g/mol
LogP5.64
Rot. Bonds6

About (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide

(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide (PubChem CID 44534666) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
PubChem CID44534666
Molecular FormulaC30H32N4O
Molecular Weight464.61 g/mol
Exact Mass464.26
IUPAC Name(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
SMILESCc1cc2nc(-c3ccc(/C=C/C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2cc1C
InChIInChI=1S/C30H32N4O/c1-21-18-27-28(19-22(21)2)33-30(32-27)25-11-8-23(9-12-25)10-13-29(35)31-26-14-16-34(17-15-26)20-24-6-4-3-5-7-24/h3-13,18-19,26H,14-17,20H2,1-2H3,(H,31,35)(H,32,33)/b13-10+
InChIKeyFPOURSOAOPHXCM-JLHYYAGUSA-N
XLogP5.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(6-tert-butyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide
CID 44534688
(E)-N-(1-benzylpiperidin-4-yl)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 26014093
(E)-N-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26691379
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 8590280
(E)-3-[6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 86603772
(E)-N-(1-benzylpiperidin-4-yl)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 26681698
(E)-N-(1-benzylpyrrolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 17452538
(E)-N-(1-benzylpiperidin-4-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 43030202
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 177349687
3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 46390383
N-(1-benzylpiperidin-4-yl)-5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)thiophene-2-carboxamide
CID 44534295

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide (CID 44534666) is (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide is Cc1cc2nc(-c3ccc(/C=C/C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2cc1C.
What is the InChIKey of (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is FPOURSOAOPHXCM-JLHYYAGUSA-N. The full InChI is InChI=1S/C30H32N4O/c1-21-18-27-28(19-22(21)2)33-30(32-27)25-11-8-23(9-12-25)10-13-29(35)31-26-14-16-34(17-15-26)20-24-6-4-3-5-7-24/h3-13,18-19,26H,14-17,20H2,1-2H3,(H,31,35)(H,32,33)/b13-10+.
What are the key properties of (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide?
(E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 464.61 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzylpiperidin-4-yl)-3-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 44534666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).