(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C19H27N3O4 — CID 95210352

IUPAC(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCOc1cccc(C[C@]2(C3CCNCC3)NC(=O)N(CCCO)C2=O)c1
InChIInChI=1S/C19H27N3O4/c1-26-16-5-2-4-14(12-16)13-19(15-6-8-20-9-7-15)17(24)22(10-3-11-23)18(25)21-19/h2,4-5,12,15,20,23H,3,6-11,13H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyNMPVFQCUEDQFGP-LJQANCHMSA-N
MW361.44 g/mol
LogP0.91
Rot. Bonds7

About (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95210352) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95210352
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCOc1cccc(C[C@]2(C3CCNCC3)NC(=O)N(CCCO)C2=O)c1
InChIInChI=1S/C19H27N3O4/c1-26-16-5-2-4-14(12-16)13-19(15-6-8-20-9-7-15)17(24)22(10-3-11-23)18(25)21-19/h2,4-5,12,15,20,23H,3,6-11,13H2,1H3,(H,21,25)/t19-/m1/s1
InChIKeyNMPVFQCUEDQFGP-LJQANCHMSA-N
XLogP0.91
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95202564
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42481511
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
(5R)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 42367835
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193946
5-[1-(2,2-diphenylethyl)piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193601
3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 56713349
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95222574
3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94796956

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95210352) is (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is COc1cccc(C[C@]2(C3CCNCC3)NC(=O)N(CCCO)C2=O)c1.
What is the InChIKey of (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is NMPVFQCUEDQFGP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-26-16-5-2-4-14(12-16)13-19(15-6-8-20-9-7-15)17(24)22(10-3-11-23)18(25)21-19/h2,4-5,12,15,20,23H,3,6-11,13H2,1H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 361.44 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95210352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).