3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

C19H22N6O — CID 110113275

IUPAC3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCNc1nccnc1CC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C19H22N6O/c1-20-18-17(21-6-7-22-18)9-13-3-2-8-25(11-13)19(26)14-4-5-15-16(10-14)24-12-23-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyAHHHTLJGWAZEBJ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.49
Rot. Bonds4

About 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 110113275) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID110113275
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCNc1nccnc1CC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C19H22N6O/c1-20-18-17(21-6-7-22-18)9-13-3-2-8-25(11-13)19(26)14-4-5-15-16(10-14)24-12-23-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,20,22)(H,23,24)
InChIKeyAHHHTLJGWAZEBJ-UHFFFAOYSA-N
XLogP2.49
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110113209
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124964415
[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 125008934
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (CID 110113275) is 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is CNc1nccnc1CC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1.
What is the InChIKey of 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is AHHHTLJGWAZEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-20-18-17(21-6-7-22-18)9-13-3-2-8-25(11-13)19(26)14-4-5-15-16(10-14)24-12-23-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110113275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).