4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C10H15N3O3 — CID 43589499

IUPAC4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(CO)C1
InChIInChI=1S/C10H15N3O3/c14-6-7-2-1-3-13(5-7)9(15)8-4-11-10(16)12-8/h4,7,14H,1-3,5-6H2,(H2,11,12,16)
InChIKeyINROIARHGPWRPT-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.45
Rot. Bonds2

About 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 43589499) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID43589499
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(CO)C1
InChIInChI=1S/C10H15N3O3/c14-6-7-2-1-3-13(5-7)9(15)8-4-11-10(16)12-8/h4,7,14H,1-3,5-6H2,(H2,11,12,16)
InChIKeyINROIARHGPWRPT-UHFFFAOYSA-N
XLogP-0.45
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 28789825
(3S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 28789828
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 43211104
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 43422232
4-(4-Hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 43502628
4-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 43572820
6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43589522
4-[2-(2-Hydroxyethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 54878389
6-Amino-1-butyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 60662302
6-Amino-5-[3-(hydroxymethyl)piperidin-1-yl]-1-propylpyrimidine-2,4-dione
CID 60662315
6-Amino-1-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 60662316
6-Amino-5-[3-(hydroxymethyl)piperidin-1-yl]-1-methylpyrimidine-2,4-dione
CID 60667218

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 43589499) is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCCC(CO)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is INROIARHGPWRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-6-7-2-1-3-13(5-7)9(15)8-4-11-10(16)12-8/h4,7,14H,1-3,5-6H2,(H2,11,12,16).
What are the key properties of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 43589499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).