5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride

C18H25ClN4O3 — CID 119597029

IUPAC5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride
SMILESCC1CCCN(C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)C1CN.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-11-4-3-9-22(14(11)10-19)15(23)12-5-7-13(8-6-12)18(2)16(24)20-17(25)21-18;/h5-8,11,14H,3-4,9-10,19H2,1-2H3,(H2,20,21,24,25);1H
InChIKeyAUSCTCJUAXXSMA-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.36
Rot. Bonds3

About 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride

5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride (PubChem CID 119597029) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride
PubChem CID119597029
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride
SMILESCC1CCCN(C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)C1CN.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-11-4-3-9-22(14(11)10-19)15(23)12-5-7-13(8-6-12)18(2)16(24)20-17(25)21-18;/h5-8,11,14H,3-4,9-10,19H2,1-2H3,(H2,20,21,24,25);1H
InChIKeyAUSCTCJUAXXSMA-UHFFFAOYSA-N
XLogP1.36
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-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

(2R,3R)-2-methyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-3-carboxylic acid
CID 122115512
4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124593322
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119597061
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 119596951
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
(2S)-6-[(2S,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 124690618
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride (CID 119597029) is 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride is CC1CCCN(C(=O)c2ccc(C3(C)NC(=O)NC3=O)cc2)C1CN.Cl.
What is the InChIKey of 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is AUSCTCJUAXXSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-11-4-3-9-22(14(11)10-19)15(23)12-5-7-13(8-6-12)18(2)16(24)20-17(25)21-18;/h5-8,11,14H,3-4,9-10,19H2,1-2H3,(H2,20,21,24,25);1H.
What are the key properties of 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride?
5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119597029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).