4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C13H21N3O4 — CID 155910949

IUPAC4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCCC[C@@]1(CO)CN(C(=O)c2c[nH]c(=O)[nH]2)CC[C@H]1O
InChIInChI=1S/C13H21N3O4/c1-2-4-13(8-17)7-16(5-3-10(13)18)11(19)9-6-14-12(20)15-9/h6,10,17-18H,2-5,7-8H2,1H3,(H2,14,15,20)/t10-,13+/m1/s1
InChIKeyXEHSFBAOLRTOEH-MFKMUULPSA-N
MW283.33 g/mol
LogP-0.31
Rot. Bonds4

About 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 155910949) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID155910949
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCCC[C@@]1(CO)CN(C(=O)c2c[nH]c(=O)[nH]2)CC[C@H]1O
InChIInChI=1S/C13H21N3O4/c1-2-4-13(8-17)7-16(5-3-10(13)18)11(19)9-6-14-12(20)15-9/h6,10,17-18H,2-5,7-8H2,1H3,(H2,14,15,20)/t10-,13+/m1/s1
InChIKeyXEHSFBAOLRTOEH-MFKMUULPSA-N
XLogP-0.31
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

3-chloro-5-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 134699659
3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 155918250
1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145257
(2,6-dimethylpyrimidin-4-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155498555
4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 134701632
(5-chloro-2-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155507299
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155505171
(3-fluoro-5-methylphenyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155499155
[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 155506478
(5-chloro-3-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155495563
3-ethyl-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144398
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155504830

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 155910949) is 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is CCC[C@@]1(CO)CN(C(=O)c2c[nH]c(=O)[nH]2)CC[C@H]1O.
What is the InChIKey of 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is XEHSFBAOLRTOEH-MFKMUULPSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-4-13(8-17)7-16(5-3-10(13)18)11(19)9-6-14-12(20)15-9/h6,10,17-18H,2-5,7-8H2,1H3,(H2,14,15,20)/t10-,13+/m1/s1.
What are the key properties of 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 283.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 155910949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).