[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

C31H36N4O3 — CID 59547652

IUPAC[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(COC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H36N4O3/c1-31(2,34(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)23-38-30(37)33-19-17-26(18-20-33)35-28-16-10-9-15-27(28)32-29(35)36/h3-16,26H,17-23H2,1-2H3,(H,32,36)
InChIKeyRPJGPFQOAVEBJY-UHFFFAOYSA-N
MW512.65 g/mol
LogP5.58
Rot. Bonds8

About [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 59547652) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID59547652
Molecular FormulaC31H36N4O3
Molecular Weight512.65 g/mol
Exact Mass512.28
IUPAC Name[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(COC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H36N4O3/c1-31(2,34(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)23-38-30(37)33-19-17-26(18-20-33)35-28-16-10-9-15-27(28)32-29(35)36/h3-16,26H,17-23H2,1-2H3,(H,32,36)
InChIKeyRPJGPFQOAVEBJY-UHFFFAOYSA-N
XLogP5.58
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate 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

benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 68719751
[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67178269
[(2S)-2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547671
[2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177904
3-[benzyl-[(4-chlorophenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177534
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
3-[benzyl-[(3-methoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177548
2-[benzyl-[(E)-3-phenylprop-2-enyl]amino]ethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67179870
[(2S)-2-[benzyl-[(4-nitrophenyl)methyl]amino]propyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67178410
[(2S)-2-[benzyl-[(3-chlorophenyl)methyl]amino]propyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;hydrochloride
CID 67179804
2-[benzyl-[(4-nitrophenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547690

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate (CID 59547652) is [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is CC(C)(COC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is RPJGPFQOAVEBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-31(2,34(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25)23-38-30(37)33-19-17-26(18-20-33)35-28-16-10-9-15-27(28)32-29(35)36/h3-16,26H,17-23H2,1-2H3,(H,32,36).
What are the key properties of [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate?
[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 512.65 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59547652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).