[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C19H25N5O — CID 100837164

IUPAC[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C19H25N5O/c25-19(23-11-4-8-17(13-23)24-15-20-14-21-24)18-9-5-10-22(18)12-16-6-2-1-3-7-16/h1-3,6-7,14-15,17-18H,4-5,8-13H2/t17-,18-/m1/s1
InChIKeyQMCVDDXKNHCWTM-QZTJIDSGSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds4

About [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 100837164) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID100837164
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C19H25N5O/c25-19(23-11-4-8-17(13-23)24-15-20-14-21-24)18-9-5-10-22(18)12-16-6-2-1-3-7-16/h1-3,6-7,14-15,17-18H,4-5,8-13H2/t17-,18-/m1/s1
InChIKeyQMCVDDXKNHCWTM-QZTJIDSGSA-N
XLogP2.11
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
1-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 136579526
[(1R,2R)-2-phenylcyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840660
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
[(3S)-1-pyridin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840655
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516
[(1S)-2,3-dihydro-1H-inden-1-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736781
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[(2S)-1-methylsulfonylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840617
[(2R)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869089
(1-propan-2-ylpiperidin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 71930142
[(2S)-1-propan-2-ylpiperidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100869090

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 100837164) is [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is O=C([C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is QMCVDDXKNHCWTM-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(23-11-4-8-17(13-23)24-15-20-14-21-24)18-9-5-10-22(18)12-16-6-2-1-3-7-16/h1-3,6-7,14-15,17-18H,4-5,8-13H2/t17-,18-/m1/s1.
What are the key properties of [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
[(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzylpyrrolidin-2-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100837164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).