1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile

C19H22N4O4 — CID 49063610

IUPAC1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N3CCC(C#N)CC3)C2=O)cc1
InChIInChI=1S/C19H22N4O4/c1-19(14-3-5-15(27-2)6-4-14)17(25)23(18(26)21-19)12-16(24)22-9-7-13(11-20)8-10-22/h3-6,13H,7-10,12H2,1-2H3,(H,21,26)
InChIKeyURDVEICWTVVMPP-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.22
Rot. Bonds4

About 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile

1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile (PubChem CID 49063610) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
PubChem CID49063610
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)N3CCC(C#N)CC3)C2=O)cc1
InChIInChI=1S/C19H22N4O4/c1-19(14-3-5-15(27-2)6-4-14)17(25)23(18(26)21-19)12-16(24)22-9-7-13(11-20)8-10-22/h3-6,13H,7-10,12H2,1-2H3,(H,21,26)
InChIKeyURDVEICWTVVMPP-UHFFFAOYSA-N
XLogP1.22
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 52501154
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47094143
ethyl 1-[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 18074238
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119376803
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
CID 49063313
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 55848096
N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42990251
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
N-(2-amino-1-cyclopropylethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119617444
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2703300
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile (CID 49063610) is 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile is COc1ccc(C2(C)NC(=O)N(CC(=O)N3CCC(C#N)CC3)C2=O)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile?
The InChIKey is URDVEICWTVVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-19(14-3-5-15(27-2)6-4-14)17(25)23(18(26)21-19)12-16(24)22-9-7-13(11-20)8-10-22/h3-6,13H,7-10,12H2,1-2H3,(H,21,26).
What are the key properties of 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile?
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 49063610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).