4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide

C20H29N5O2 — CID 55718643

IUPAC4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N(C)Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H29N5O2/c1-4-24(5-2)20(27)25-12-10-15(11-13-25)19(26)23(3)14-18-21-16-8-6-7-9-17(16)22-18/h6-9,15H,4-5,10-14H2,1-3H3,(H,21,22)
InChIKeyPZOVJYCXSZOQHA-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.70
Rot. Bonds5

About 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide

4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 55718643) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
PubChem CID55718643
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N(C)Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H29N5O2/c1-4-24(5-2)20(27)25-12-10-15(11-13-25)19(26)23(3)14-18-21-16-8-6-7-9-17(16)22-18/h6-9,15H,4-5,10-14H2,1-3H3,(H,21,22)
InChIKeyPZOVJYCXSZOQHA-UHFFFAOYSA-N
XLogP2.70
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide (CID 55718643) is 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)N(C)Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is PZOVJYCXSZOQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-24(5-2)20(27)25-12-10-15(11-13-25)19(26)23(3)14-18-21-16-8-6-7-9-17(16)22-18/h6-9,15H,4-5,10-14H2,1-3H3,(H,21,22).
What are the key properties of 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide?
4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55718643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).