[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

C19H21N5O — CID 28667761

IUPAC[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H21N5O/c1-20-18-14(7-4-10-21-18)19(25)24-11-5-6-13(12-24)17-22-15-8-2-3-9-16(15)23-17/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyMFBUPVVFHBWRJQ-CYBMUJFWSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds3

About [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 28667761) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID28667761
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H21N5O/c1-20-18-14(7-4-10-21-18)19(25)24-11-5-6-13(12-24)17-22-15-8-2-3-9-16(15)23-17/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyMFBUPVVFHBWRJQ-CYBMUJFWSA-N
XLogP3.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone
CID 42932440
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 55497026
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (CID 28667761) is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is MFBUPVVFHBWRJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N5O/c1-20-18-14(7-4-10-21-18)19(25)24-11-5-6-13(12-24)17-22-15-8-2-3-9-16(15)23-17/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1.
What are the key properties of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 28667761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).