(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one

C17H23N3O4 — CID 95872118

IUPAC(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
SMILESCOc1ccccc1OC1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1
InChIInChI=1S/C17H23N3O4/c1-19-11-13(18-17(19)22)16(21)20-9-7-12(8-10-20)24-15-6-4-3-5-14(15)23-2/h3-6,12-13H,7-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyCYECLROAJWJSKL-ZDUSSCGKSA-N
MW333.39 g/mol
LogP1.09
Rot. Bonds4

About (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one

(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one (PubChem CID 95872118) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
PubChem CID95872118
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
SMILESCOc1ccccc1OC1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1
InChIInChI=1S/C17H23N3O4/c1-19-11-13(18-17(19)22)16(21)20-9-7-12(8-10-20)24-15-6-4-3-5-14(15)23-2/h3-6,12-13H,7-11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyCYECLROAJWJSKL-ZDUSSCGKSA-N
XLogP1.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
4-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]imidazolidin-2-one
CID 71877831
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70735264
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The IUPAC name of (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one (CID 95872118) is (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The canonical SMILES for (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one is COc1ccccc1OC1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1.
What is the InChIKey of (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The InChIKey is CYECLROAJWJSKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-19-11-13(18-17(19)22)16(21)20-9-7-12(8-10-20)24-15-6-4-3-5-14(15)23-2/h3-6,12-13H,7-11H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 95872118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).