N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride

C18H26ClN3O4 — CID 119618169

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)Nc2cc3c(cc2N)OCO3)C1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-3-11(2)18(23)21-6-4-5-12(9-21)17(22)20-14-8-16-15(7-13(14)19)24-10-25-16;/h7-8,11-12H,3-6,9-10,19H2,1-2H3,(H,20,22);1H
InChIKeySGDSYLYNYKYCKC-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.64
Rot. Bonds4

About N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119618169) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119618169
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)Nc2cc3c(cc2N)OCO3)C1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-3-11(2)18(23)21-6-4-5-12(9-21)17(22)20-14-8-16-15(7-13(14)19)24-10-25-16;/h7-8,11-12H,3-6,9-10,19H2,1-2H3,(H,20,22);1H
InChIKeySGDSYLYNYKYCKC-UHFFFAOYSA-N
XLogP2.64
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;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

N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119618843
N-(6-amino-1,3-benzodioxol-5-yl)-1-benzoylpiperidine-3-carboxamide;hydrochloride
CID 119618964
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119617969
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 120604600
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptanecarboxamide
CID 62585586
(3R)-1-[(2R)-2-methylbutanoyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 97095575
N-(6-amino-1,3-benzodioxol-5-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119618314
N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride
CID 119618365
1-acetyl-N-(6-amino-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 119617953
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride (CID 119618169) is N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride is CCC(C)C(=O)N1CCCC(C(=O)Nc2cc3c(cc2N)OCO3)C1.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is SGDSYLYNYKYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-3-11(2)18(23)21-6-4-5-12(9-21)17(22)20-14-8-16-15(7-13(14)19)24-10-25-16;/h7-8,11-12H,3-6,9-10,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119618169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).