5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C20H25N3O3 — CID 95863015

IUPAC5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]2CCO)cc1
InChIInChI=1S/C20H25N3O3/c1-15-2-4-16(5-3-15)13-22-9-10-23(14-18(22)8-11-24)20(26)17-6-7-19(25)21-12-17/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyNEMGODPGCSQZKJ-SFHVURJKSA-N
MW355.44 g/mol
LogP1.39
Rot. Bonds5

About 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95863015) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95863015
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]2CCO)cc1
InChIInChI=1S/C20H25N3O3/c1-15-2-4-16(5-3-15)13-22-9-10-23(14-18(22)8-11-24)20(26)17-6-7-19(25)21-12-17/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyNEMGODPGCSQZKJ-SFHVURJKSA-N
XLogP1.39
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 70737449
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 95872393
2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
2-[(2S)-1-[(4-methylphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 92666914
[(3S)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95888894
1-[3-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 93233365
1-[(3R)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 95894255
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 70755343

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 95863015) is 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]2CCO)cc1.
What is the InChIKey of 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NEMGODPGCSQZKJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-2-4-16(5-3-15)13-22-9-10-23(14-18(22)8-11-24)20(26)17-6-7-19(25)21-12-17/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95863015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).