(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

C19H23N5O — CID 95280348

IUPAC(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn([C@H]2CCCN(C(=O)[C@@H](C)n3cnc4ccccc43)C2)c1
InChIInChI=1S/C19H23N5O/c1-14-10-21-24(11-14)16-6-5-9-22(12-16)19(25)15(2)23-13-20-17-7-3-4-8-18(17)23/h3-4,7-8,10-11,13,15-16H,5-6,9,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyRDDCBBDMRITFGQ-CVEARBPZSA-N
MW337.43 g/mol
LogP2.97
Rot. Bonds3

About (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 95280348) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID95280348
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn([C@H]2CCCN(C(=O)[C@@H](C)n3cnc4ccccc43)C2)c1
InChIInChI=1S/C19H23N5O/c1-14-10-21-24(11-14)16-6-5-9-22(12-16)19(25)15(2)23-13-20-17-7-3-4-8-18(17)23/h3-4,7-8,10-11,13,15-16H,5-6,9,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyRDDCBBDMRITFGQ-CVEARBPZSA-N
XLogP2.97
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95605637
3-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119881449
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
2-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119881442
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
(2S)-2-(benzimidazol-1-yl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95752271
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one (CID 95280348) is (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one is Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)n3cnc4ccccc43)C2)c1.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RDDCBBDMRITFGQ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-10-21-24(11-14)16-6-5-9-22(12-16)19(25)15(2)23-13-20-17-7-3-4-8-18(17)23/h3-4,7-8,10-11,13,15-16H,5-6,9,12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 337.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95280348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).