4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one

C19H28N4O3 — CID 126892532

IUPAC4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
SMILESO=C(c1cc(O)[nH]c(=O)c1)N1CC(N2CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C19H28N4O3/c24-17-10-14(11-18(25)20-17)19(26)23-12-16(13-23)22-8-6-21(7-9-22)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12-13H2,(H2,20,24,25)
InChIKeyWOYUJWKGGPEGOB-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.86
Rot. Bonds3

About 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one

4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one (PubChem CID 126892532) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
PubChem CID126892532
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
SMILESO=C(c1cc(O)[nH]c(=O)c1)N1CC(N2CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C19H28N4O3/c24-17-10-14(11-18(25)20-17)19(26)23-12-16(13-23)22-8-6-21(7-9-22)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12-13H2,(H2,20,24,25)
InChIKeyWOYUJWKGGPEGOB-UHFFFAOYSA-N
XLogP0.86
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66260859
4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 121146340
6-hydroxy-4-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24699091
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)azepane-2-carboxylic acid
CID 64559175
6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114799248
ethyl (3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylate
CID 115538799
4-(4-amino-3-ethylpiperidine-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 81457773
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(3,5-dibromophenyl)methanone
CID 103908312
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66202057
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776148
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one (CID 126892532) is 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one is O=C(c1cc(O)[nH]c(=O)c1)N1CC(N2CCN(C3CCCCC3)CC2)C1.
What is the InChIKey of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The InChIKey is WOYUJWKGGPEGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-17-10-14(11-18(25)20-17)19(26)23-12-16(13-23)22-8-6-21(7-9-22)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12-13H2,(H2,20,24,25).
What are the key properties of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one has a molecular weight of 360.46 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclohexylpiperazin-1-yl)azetidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 126892532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).