(5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione

C19H26N4O4 — CID 97133125

IUPAC(5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2CCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)c1
InChIInChI=1S/C19H26N4O4/c1-20-16(18(25)21(2)19(20)26)12-17(24)23-9-7-22(8-10-23)13-14-5-4-6-15(11-14)27-3/h4-6,11,16H,7-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyLOMVQLPGKWURSW-MRXNPFEDSA-N
MW374.44 g/mol
LogP0.62
Rot. Bonds5

About (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione

(5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione (PubChem CID 97133125) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
PubChem CID97133125
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2CCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)c1
InChIInChI=1S/C19H26N4O4/c1-20-16(18(25)21(2)19(20)26)12-17(24)23-9-7-22(8-10-23)13-14-5-4-6-15(11-14)27-3/h4-6,11,16H,7-10,12-13H2,1-3H3/t16-/m1/s1
InChIKeyLOMVQLPGKWURSW-MRXNPFEDSA-N
XLogP0.62
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 31717507
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
1-hydroxy-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341314
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 99959511
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 19323261
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione (CID 97133125) is (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione is COc1cccc(CN2CCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CC2)c1.
What is the InChIKey of (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The InChIKey is LOMVQLPGKWURSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-20-16(18(25)21(2)19(20)26)12-17(24)23-9-7-22(8-10-23)13-14-5-4-6-15(11-14)27-3/h4-6,11,16H,7-10,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
(5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 97133125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).