5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C21H23N3O3 — CID 70706334

IUPAC5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C21H23N3O3/c1-14-19(12-16(13-22)20(26)23-14)21(27)24-11-3-2-4-17(24)8-5-15-6-9-18(25)10-7-15/h6-7,9-10,12,17,25H,2-5,8,11H2,1H3,(H,23,26)
InChIKeyYINUHPCKWHNQOP-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.89
Rot. Bonds4

About 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70706334) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70706334
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C21H23N3O3/c1-14-19(12-16(13-22)20(26)23-14)21(27)24-11-3-2-4-17(24)8-5-15-6-9-18(25)10-7-15/h6-7,9-10,12,17,25H,2-5,8,11H2,1H3,(H,23,26)
InChIKeyYINUHPCKWHNQOP-UHFFFAOYSA-N
XLogP2.89
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
6-methyl-2-oxo-5-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 70747234
[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 96573273
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
1-[3-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 46990239
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46990595
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
5-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70731720

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70706334) is 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YINUHPCKWHNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-19(12-16(13-22)20(26)23-14)21(27)24-11-3-2-4-17(24)8-5-15-6-9-18(25)10-7-15/h6-7,9-10,12,17,25H,2-5,8,11H2,1H3,(H,23,26).
What are the key properties of 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 365.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70706334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).