(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H22N6O — CID 95205487

IUPAC(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)nnn1Cc1ccccc1
InChIInChI=1S/C19H22N6O/c1-14-18(22-23-25(14)12-15-6-3-2-4-7-15)19(26)24-11-5-8-16(13-24)17-9-10-20-21-17/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyDDKWDAFMESFTRA-MRXNPFEDSA-N
MW350.43 g/mol
LogP2.38
Rot. Bonds4

About (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95205487) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95205487
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)nnn1Cc1ccccc1
InChIInChI=1S/C19H22N6O/c1-14-18(22-23-25(14)12-15-6-3-2-4-7-15)19(26)24-11-5-8-16(13-24)17-9-10-20-21-17/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyDDKWDAFMESFTRA-MRXNPFEDSA-N
XLogP2.38
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-methyltriazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56744759
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95844686
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-methyl-3-phenylmethoxy-2-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162630251
2-(2-phenylethoxy)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768623
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95189827

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95205487) is (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)nnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is DDKWDAFMESFTRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-18(22-23-25(14)12-15-6-3-2-4-7-15)19(26)24-11-5-8-16(13-24)17-9-10-20-21-17/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95205487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).