1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one

C15H18ClN3O3 — CID 50954424

IUPAC1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)CN1
InChIInChI=1S/C15H18ClN3O3/c16-11-1-3-12(4-2-11)22-15(5-7-17-8-6-15)14(21)19-9-13(20)18-10-19/h1-4,17H,5-10H2,(H,18,20)
InChIKeyFUJFJQJPTOXSJH-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.76
Rot. Bonds3

About 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one

1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one (PubChem CID 50954424) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one
PubChem CID50954424
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)CN1
InChIInChI=1S/C15H18ClN3O3/c16-11-1-3-12(4-2-11)22-15(5-7-17-8-6-15)14(21)19-9-13(20)18-10-19/h1-4,17H,5-10H2,(H,18,20)
InChIKeyFUJFJQJPTOXSJH-UHFFFAOYSA-N
XLogP0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 50977359
2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 168654849
4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50980610
(2S)-1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 50976871
4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
CID 66085312
4-[3-(4-chlorophenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111374
[2-(4-chlorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119725542
4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 50980900
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
4-(4-methylpiperidine-4-carbonyl)piperazin-2-one
CID 63121367
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one (CID 50954424) is 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)CN1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one?
The InChIKey is FUJFJQJPTOXSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-11-1-3-12(4-2-11)22-15(5-7-17-8-6-15)14(21)19-9-13(20)18-10-19/h1-4,17H,5-10H2,(H,18,20).
What are the key properties of 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one?
1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one has a molecular weight of 323.78 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 50954424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).