3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

C17H19N5O — CID 110106421

IUPAC3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C17H19N5O/c23-17(13-3-4-15-16(9-13)19-11-18-15)22-7-1-2-12(10-22)8-14-5-6-20-21-14/h3-6,9,11-12H,1-2,7-8,10H2,(H,18,19)(H,20,21)
InChIKeyUGGUISXJGSNRRG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds3

About 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110106421) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110106421
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCC(Cc2ccn[nH]2)C1
InChIInChI=1S/C17H19N5O/c23-17(13-3-4-15-16(9-13)19-11-18-15)22-7-1-2-12(10-22)8-14-5-6-20-21-14/h3-6,9,11-12H,1-2,7-8,10H2,(H,18,19)(H,20,21)
InChIKeyUGGUISXJGSNRRG-UHFFFAOYSA-N
XLogP2.38
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113275
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125025980
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 110106421) is 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCCC(Cc2ccn[nH]2)C1.
What is the InChIKey of 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UGGUISXJGSNRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-17(13-3-4-15-16(9-13)19-11-18-15)22-7-1-2-12(10-22)8-14-5-6-20-21-14/h3-6,9,11-12H,1-2,7-8,10H2,(H,18,19)(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110106421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).