5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C21H23N3O3 — CID 70767748

IUPAC5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(C(=O)N2CCC(C(O)Cc3ccccc3)CC2)c[nH]c(=O)c1C#N
InChIInChI=1S/C21H23N3O3/c1-14-17(12-22)20(26)23-13-18(14)21(27)24-9-7-16(8-10-24)19(25)11-15-5-3-2-4-6-15/h2-6,13,16,19,25H,7-11H2,1H3,(H,23,26)
InChIKeyHXSFZAJEBCAEPZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.01
Rot. Bonds4

About 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70767748) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70767748
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(C(=O)N2CCC(C(O)Cc3ccccc3)CC2)c[nH]c(=O)c1C#N
InChIInChI=1S/C21H23N3O3/c1-14-17(12-22)20(26)23-13-18(14)21(27)24-9-7-16(8-10-24)19(25)11-15-5-3-2-4-6-15/h2-6,13,16,19,25H,7-11H2,1H3,(H,23,26)
InChIKeyHXSFZAJEBCAEPZ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-6-(2-hydroxy-3-phenylpropyl)-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carbonitrile
CID 56720810
3-{[4-(1-Hydroxy-2-phenylethyl)-1-piperidinyl]carbonyl}-2,6-dimethyl-4-pyridinol
CID 70715638
5-[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 97330826
2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
N-(3-hydroxy-4-phenylbutan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 112379001
5-{[4-(2-Fluorobenzyl)-1-piperidinyl]carbonyl}-2-hydroxy-4-methylnicotinonitrile
CID 70786240
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 111109373
5-[4-[(4-Fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 111109435
4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 112279941
5-[(2S,3S)-2-[(2-fluorophenyl)methyl]-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 129581511
4-[(3R,4S)-4-[(4-Fluorophenyl)methyl]-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129582954
5-[(3S,4S)-4-[(2-fluorophenyl)methyl]-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 129583034

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70767748) is 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1c(C(=O)N2CCC(C(O)Cc3ccccc3)CC2)c[nH]c(=O)c1C#N.
What is the InChIKey of 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HXSFZAJEBCAEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-17(12-22)20(26)23-13-18(14)21(27)24-9-7-16(8-10-24)19(25)11-15-5-3-2-4-6-15/h2-6,13,16,19,25H,7-11H2,1H3,(H,23,26).
What are the key properties of 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 365.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70767748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).