(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide

C19H24N6O — CID 97434031

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(C)n1
InChIInChI=1S/C19H24N6O/c1-3-24-12-16(13(2)23-24)22-19(26)25-11-7-6-10-17(25)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,20,21)(H,22,26)/t17-/m1/s1
InChIKeyYWVJHVBMZUNGPV-QGZVFWFLSA-N
MW352.44 g/mol
LogP3.85
Rot. Bonds3

About (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide

(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 97434031) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID97434031
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(C)n1
InChIInChI=1S/C19H24N6O/c1-3-24-12-16(13(2)23-24)22-19(26)25-11-7-6-10-17(25)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,20,21)(H,22,26)/t17-/m1/s1
InChIKeyYWVJHVBMZUNGPV-QGZVFWFLSA-N
XLogP3.85
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
CID 128697477
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
CID 46980656
N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 128834600
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110225725
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
2-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 49118752

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide (CID 97434031) is (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide is CCn1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c(C)n1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is YWVJHVBMZUNGPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-24-12-16(13(2)23-24)22-19(26)25-11-7-6-10-17(25)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3,(H,20,21)(H,22,26)/t17-/m1/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide?
(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97434031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).