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

C21H27N3O3 — CID 70737449

IUPAC5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccccc2)C(CCO)C1
InChIInChI=1S/C21H27N3O3/c25-14-10-19-16-24(21(27)18-8-9-20(26)22-15-18)13-12-23(19)11-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19,25H,4,7,10-14,16H2,(H,22,26)
InChIKeyDHZCEOHLELEHBK-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.52
Rot. Bonds7

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

5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70737449) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70737449
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccccc2)C(CCO)C1
InChIInChI=1S/C21H27N3O3/c25-14-10-19-16-24(21(27)18-8-9-20(26)22-15-18)13-12-23(19)11-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19,25H,4,7,10-14,16H2,(H,22,26)
InChIKeyDHZCEOHLELEHBK-UHFFFAOYSA-N
XLogP1.52
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 95863015
prop-2-enyl 3-(3-hydroxypropyl)-4-(3-phenylpropyl)piperazine-1-carboxylate
CID 122607695
5-[(1S,5R)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyridin-2-one
CID 72859131
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
5-[2-[(3R,4S)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidin-1-yl]acetyl]-1H-pyridin-2-one
CID 126687098
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 70737449) is 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(CCCc2ccccc2)C(CCO)C1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DHZCEOHLELEHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-14-10-19-16-24(21(27)18-8-9-20(26)22-15-18)13-12-23(19)11-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19,25H,4,7,10-14,16H2,(H,22,26).
What are the key properties of 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 369.46 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70737449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).