ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate

C16H20N4O3 — CID 18428064

IUPACethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(c2nc3c(C(N)=O)cccc3[nH]2)CCN1
InChIInChI=1S/C16H20N4O3/c1-2-23-16(22)12-8-9(6-7-18-12)15-19-11-5-3-4-10(14(17)21)13(11)20-15/h3-5,9,12,18H,2,6-8H2,1H3,(H2,17,21)(H,19,20)
InChIKeyJPNVYPIXLGFBHX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.06
Rot. Bonds4

About ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate

ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate (PubChem CID 18428064) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate
PubChem CID18428064
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(c2nc3c(C(N)=O)cccc3[nH]2)CCN1
InChIInChI=1S/C16H20N4O3/c1-2-23-16(22)12-8-9(6-7-18-12)15-19-11-5-3-4-10(14(17)21)13(11)20-15/h3-5,9,12,18H,2,6-8H2,1H3,(H2,17,21)(H,19,20)
InChIKeyJPNVYPIXLGFBHX-UHFFFAOYSA-N
XLogP1.06
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate (CID 18428064) is ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate is CCOC(=O)C1CC(c2nc3c(C(N)=O)cccc3[nH]2)CCN1.
What is the InChIKey of ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate?
The InChIKey is JPNVYPIXLGFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-23-16(22)12-8-9(6-7-18-12)15-19-11-5-3-4-10(14(17)21)13(11)20-15/h3-5,9,12,18H,2,6-8H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate?
ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 18428064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).