4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one

C13H19N5O2 — CID 70773690

IUPAC4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
SMILESCN1CC(C(=O)N2CCC(c3ncc[nH]3)CC2)NC1=O
InChIInChI=1S/C13H19N5O2/c1-17-8-10(16-13(17)20)12(19)18-6-2-9(3-7-18)11-14-4-5-15-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,15)(H,16,20)
InChIKeyPLAZPEVQYCPLAH-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.14
Rot. Bonds2

About 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one

4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one (PubChem CID 70773690) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
PubChem CID70773690
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
SMILESCN1CC(C(=O)N2CCC(c3ncc[nH]3)CC2)NC1=O
InChIInChI=1S/C13H19N5O2/c1-17-8-10(16-13(17)20)12(19)18-6-2-9(3-7-18)11-14-4-5-15-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,15)(H,16,20)
InChIKeyPLAZPEVQYCPLAH-UHFFFAOYSA-N
XLogP0.14
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 74242488
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70759660
[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 95884982
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one (CID 70773690) is 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one is CN1CC(C(=O)N2CCC(c3ncc[nH]3)CC2)NC1=O.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The InChIKey is PLAZPEVQYCPLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-8-10(16-13(17)20)12(19)18-6-2-9(3-7-18)11-14-4-5-15-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,15)(H,16,20).
What are the key properties of 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 70773690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).