(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C17H22N4O2 — CID 95347058

IUPAC(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1
InChIInChI=1S/C17H22N4O2/c1-2-23-16-8-7-14(12-18-16)17(22)21-11-4-3-6-15(21)13-20-10-5-9-19-20/h5,7-10,12,15H,2-4,6,11,13H2,1H3/t15-/m1/s1
InChIKeyAXVZMMIEWRBANN-OAHLLOKOSA-N
MW314.39 g/mol
LogP2.37
Rot. Bonds5

About (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95347058) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID95347058
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1
InChIInChI=1S/C17H22N4O2/c1-2-23-16-8-7-14(12-18-16)17(22)21-11-4-3-6-15(21)13-20-10-5-9-19-20/h5,7-10,12,15H,2-4,6,11,13H2,1H3/t15-/m1/s1
InChIKeyAXVZMMIEWRBANN-OAHLLOKOSA-N
XLogP2.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605710
[6-(diethylamino)-3-pyridinyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95353897
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347174
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 95347058) is (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is AXVZMMIEWRBANN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-23-16-8-7-14(12-18-16)17(22)21-11-4-3-6-15(21)13-20-10-5-9-19-20/h5,7-10,12,15H,2-4,6,11,13H2,1H3/t15-/m1/s1.
What are the key properties of (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95347058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).