(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C19H27N3O3 — CID 42367407

IUPAC(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(C)c1C
InChIInChI=1S/C19H27N3O3/c1-12-13(2)16(25-4)6-5-14(12)11-22-9-7-15(8-10-22)19(3)17(23)20-18(24)21-19/h5-6,15H,7-11H2,1-4H3,(H2,20,21,23,24)/t19-/m0/s1
InChIKeyCPIWNEAMKQRGLY-IBGZPJMESA-N
MW345.44 g/mol
LogP2.12
Rot. Bonds4

About (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 42367407) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID42367407
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(C)c1C
InChIInChI=1S/C19H27N3O3/c1-12-13(2)16(25-4)6-5-14(12)11-22-9-7-15(8-10-22)19(3)17(23)20-18(24)21-19/h5-6,15H,7-11H2,1-4H3,(H2,20,21,23,24)/t19-/m0/s1
InChIKeyCPIWNEAMKQRGLY-IBGZPJMESA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45187506
5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45206590
5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45200395
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
(5R)-3-but-2-ynyl-5-[(3-fluorophenyl)methyl]-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26274397
5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45194299
5-methyl-5-[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56713229
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 74244251
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
5-[1-[4-(2,5-dimethoxybenzoyl)benzoyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45249473
(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 124843308

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 42367407) is (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(C)c1C.
What is the InChIKey of (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CPIWNEAMKQRGLY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-13(2)16(25-4)6-5-14(12)11-22-9-7-15(8-10-22)19(3)17(23)20-18(24)21-19/h5-6,15H,7-11H2,1-4H3,(H2,20,21,23,24)/t19-/m0/s1.
What are the key properties of (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42367407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).