N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide

C23H28N4O — CID 118768183

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-27-16-13-23(14-17-27,18-8-3-2-4-9-18)22(28)24-15-7-12-21-25-19-10-5-6-11-20(19)26-21/h2-6,8-11H,7,12-17H2,1H3,(H,24,28)(H,25,26)
InChIKeyYCGFSXCIQXRGAG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.28
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide (PubChem CID 118768183) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
PubChem CID118768183
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-27-16-13-23(14-17-27,18-8-3-2-4-9-18)22(28)24-15-7-12-21-25-19-10-5-6-11-20(19)26-21/h2-6,8-11H,7,12-17H2,1H3,(H,24,28)(H,25,26)
InChIKeyYCGFSXCIQXRGAG-UHFFFAOYSA-N
XLogP3.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[5-(1H-benzimidazol-2-yl)pentyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 71825902
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 37316419
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
CID 71973726
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide (CID 118768183) is N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide is CN1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)(c2ccccc2)CC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is YCGFSXCIQXRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-27-16-13-23(14-17-27,18-8-3-2-4-9-18)22(28)24-15-7-12-21-25-19-10-5-6-11-20(19)26-21/h2-6,8-11H,7,12-17H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 118768183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).