3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride

C18H25ClN4O2 — CID 120819071

IUPAC3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride
SMILESCCn1nc(C(=O)N2CCC(N)C(C)(C)C2)c(=O)c2ccccc21.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-4-22-13-8-6-5-7-12(13)16(23)15(20-22)17(24)21-10-9-14(19)18(2,3)11-21;/h5-8,14H,4,9-11,19H2,1-3H3;1H
InChIKeyMFYIJCITEPWUNB-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.04
Rot. Bonds2

About 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride

3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride (PubChem CID 120819071) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride
PubChem CID120819071
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride
SMILESCCn1nc(C(=O)N2CCC(N)C(C)(C)C2)c(=O)c2ccccc21.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-4-22-13-8-6-5-7-12(13)16(23)15(20-22)17(24)21-10-9-14(19)18(2,3)11-21;/h5-8,14H,4,9-11,19H2,1-3H3;1H
InChIKeyMFYIJCITEPWUNB-UHFFFAOYSA-N
XLogP2.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;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

1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one
CID 53014951
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-ethyl-3-(8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cinnolin-4-one
CID 136536217
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one
CID 120815195
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
CID 15232962
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120818647
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]methanone;hydrochloride
CID 120817403
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
CID 120820095

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride (CID 120819071) is 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride is CCn1nc(C(=O)N2CCC(N)C(C)(C)C2)c(=O)c2ccccc21.Cl.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride?
The InChIKey is MFYIJCITEPWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-4-22-13-8-6-5-7-12(13)16(23)15(20-22)17(24)21-10-9-14(19)18(2,3)11-21;/h5-8,14H,4,9-11,19H2,1-3H3;1H.
What are the key properties of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride?
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride is sourced from PubChem (CID 120819071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).