1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one

C19H29N3O3 — CID 95305402

IUPAC1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESCCN1CCN(C2CCN(C[C@@H](O)c3ccc(OC)cc3)CC2)C1=O
InChIInChI=1S/C19H29N3O3/c1-3-21-12-13-22(19(21)24)16-8-10-20(11-9-16)14-18(23)15-4-6-17(25-2)7-5-15/h4-7,16,18,23H,3,8-14H2,1-2H3/t18-/m1/s1
InChIKeyQMCPWVMWKKHAJO-GOSISDBHSA-N
MW347.46 g/mol
LogP1.95
Rot. Bonds6

About 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one

1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 95305402) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID95305402
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one
SMILESCCN1CCN(C2CCN(C[C@@H](O)c3ccc(OC)cc3)CC2)C1=O
InChIInChI=1S/C19H29N3O3/c1-3-21-12-13-22(19(21)24)16-8-10-20(11-9-16)14-18(23)15-4-6-17(25-2)7-5-15/h4-7,16,18,23H,3,8-14H2,1-2H3/t18-/m1/s1
InChIKeyQMCPWVMWKKHAJO-GOSISDBHSA-N
XLogP1.95
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 50789347
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959584
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one (CID 95305402) is 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one is CCN1CCN(C2CCN(C[C@@H](O)c3ccc(OC)cc3)CC2)C1=O.
What is the InChIKey of 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QMCPWVMWKKHAJO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-21-12-13-22(19(21)24)16-8-10-20(11-9-16)14-18(23)15-4-6-17(25-2)7-5-15/h4-7,16,18,23H,3,8-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one?
1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 95305402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).