3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

C18H24N4O3 — CID 120819379

IUPAC3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C)CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCC1N
InChIInChI=1S/C18H24N4O3/c1-18(2)11-21(8-7-14(18)19)16(24)13-5-3-12(4-6-13)10-22-15(23)9-20-17(22)25/h3-6,14H,7-11,19H2,1-2H3,(H,20,25)
InChIKeyJOTMQAPZYQVCFS-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.94
Rot. Bonds3

About 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 120819379) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID120819379
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C)CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCC1N
InChIInChI=1S/C18H24N4O3/c1-18(2)11-21(8-7-14(18)19)16(24)13-5-3-12(4-6-13)10-22-15(23)9-20-17(22)25/h3-6,14H,7-11,19H2,1-2H3,(H,20,25)
InChIKeyJOTMQAPZYQVCFS-UHFFFAOYSA-N
XLogP0.94
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.94
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

1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 120814007
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 120815271
3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 32747160
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 119649146
1-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120815264
3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27659652

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (CID 120819379) is 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is CC1(C)CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CCC1N.
What is the InChIKey of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is JOTMQAPZYQVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2)11-21(8-7-14(18)19)16(24)13-5-3-12(4-6-13)10-22-15(23)9-20-17(22)25/h3-6,14H,7-11,19H2,1-2H3,(H,20,25).
What are the key properties of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 120819379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).