N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide

C19H26N4O4 — CID 131904790

IUPACN-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)Nc2c(C)c(C)cc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C19H26N4O4/c1-4-27-10-15(24)23-7-5-13(6-8-23)18(25)21-16-12(3)11(2)9-14-17(16)22-19(26)20-14/h9,13H,4-8,10H2,1-3H3,(H,21,25)(H2,20,22,26)
InChIKeyCIMDNUHPTSMKKX-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.69
Rot. Bonds5

About N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide

N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide (PubChem CID 131904790) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide
PubChem CID131904790
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(C(=O)Nc2c(C)c(C)cc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C19H26N4O4/c1-4-27-10-15(24)23-7-5-13(6-8-23)18(25)21-16-12(3)11(2)9-14-17(16)22-19(26)20-14/h9,13H,4-8,10H2,1-3H3,(H,21,25)(H2,20,22,26)
InChIKeyCIMDNUHPTSMKKX-UHFFFAOYSA-N
XLogP1.69
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide (CID 131904790) is N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide is CCOCC(=O)N1CCC(C(=O)Nc2c(C)c(C)cc3[nH]c(=O)[nH]c23)CC1.
What is the InChIKey of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide?
The InChIKey is CIMDNUHPTSMKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-27-10-15(24)23-7-5-13(6-8-23)18(25)21-16-12(3)11(2)9-14-17(16)22-19(26)20-14/h9,13H,4-8,10H2,1-3H3,(H,21,25)(H2,20,22,26).
What are the key properties of N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide?
N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-2-oxo-1,3-dihydrobenzimidazol-4-yl)-1-(2-ethoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 131904790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).