N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C19H26N4O3 — CID 128698136

IUPACN-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCC[C@@H]1OCC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H26N4O3/c1-2-17-15(9-12-26-17)21-18(24)22-10-7-13(8-11-22)23-16-6-4-3-5-14(16)20-19(23)25/h3-6,13,15,17H,2,7-12H2,1H3,(H,20,25)(H,21,24)/t15-,17+/m1/s1
InChIKeyQKZZNZURUGIMGY-WBVHZDCISA-N
MW358.44 g/mol
LogP2.24
Rot. Bonds3

About N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 128698136) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID128698136
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCC[C@@H]1OCC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H26N4O3/c1-2-17-15(9-12-26-17)21-18(24)22-10-7-13(8-11-22)23-16-6-4-3-5-14(16)20-19(23)25/h3-6,13,15,17H,2,7-12H2,1H3,(H,20,25)(H,21,24)/t15-,17+/m1/s1
InChIKeyQKZZNZURUGIMGY-WBVHZDCISA-N
XLogP2.24
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 167872050
N-(2,2-dimethylcyclopentyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967834
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
N-(2-methylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 20605984
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
N-(2-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735703
N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
N-(4-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 3835544
CID 91445374
CID 91445374
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172967992

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 128698136) is N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is CC[C@@H]1OCC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is QKZZNZURUGIMGY-WBVHZDCISA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-17-15(9-12-26-17)21-18(24)22-10-7-13(8-11-22)23-16-6-4-3-5-14(16)20-19(23)25/h3-6,13,15,17H,2,7-12H2,1H3,(H,20,25)(H,21,24)/t15-,17+/m1/s1.
What are the key properties of N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128698136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).