3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride

C19H26ClN3O3 — CID 120814007

IUPAC3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(CC3CC(=O)NC3=O)cc2)CCC1N.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-19(2)11-22(8-7-15(19)20)18(25)13-5-3-12(4-6-13)9-14-10-16(23)21-17(14)24;/h3-6,14-15H,7-11,20H2,1-2H3,(H,21,23,24);1H
InChIKeyHAXVEYKEJANLKF-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.51
Rot. Bonds3

About 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride

3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 120814007) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID120814007
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(CC3CC(=O)NC3=O)cc2)CCC1N.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-19(2)11-22(8-7-15(19)20)18(25)13-5-3-12(4-6-13)9-14-10-16(23)21-17(14)24;/h3-6,14-15H,7-11,20H2,1-2H3,(H,21,23,24);1H
InChIKeyHAXVEYKEJANLKF-UHFFFAOYSA-N
XLogP1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]imidazolidine-2,4-dione
CID 120819379
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(3S)-1-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119174231
(3S,4S)-1-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953280
1-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120815264
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 120815271
3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71984166
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
CID 120816522
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride (CID 120814007) is 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride is CC1(C)CN(C(=O)c2ccc(CC3CC(=O)NC3=O)cc2)CCC1N.Cl.
What is the InChIKey of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is HAXVEYKEJANLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-19(2)11-22(8-7-15(19)20)18(25)13-5-3-12(4-6-13)9-14-10-16(23)21-17(14)24;/h3-6,14-15H,7-11,20H2,1-2H3,(H,21,23,24);1H.
What are the key properties of 3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.51, 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]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 120814007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).