1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one

C18H24N4O2 — CID 120815195

IUPAC1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one
SMILESCC1(C)CN(C(=O)CCn2ncc(=O)c3ccccc32)CCC1N
InChIInChI=1S/C18H24N4O2/c1-18(2)12-21(9-7-16(18)19)17(24)8-10-22-14-6-4-3-5-13(14)15(23)11-20-22/h3-6,11,16H,7-10,12,19H2,1-2H3
InChIKeyQRZKKBUZYAQFSZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.37
Rot. Bonds3

About 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one

1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one (PubChem CID 120815195) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one
PubChem CID120815195
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one
SMILESCC1(C)CN(C(=O)CCn2ncc(=O)c3ccccc32)CCC1N
InChIInChI=1S/C18H24N4O2/c1-18(2)12-21(9-7-16(18)19)17(24)8-10-22-14-6-4-3-5-13(14)15(23)11-20-22/h3-6,11,16H,7-10,12,19H2,1-2H3
InChIKeyQRZKKBUZYAQFSZ-UHFFFAOYSA-N
XLogP1.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 120818619
1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 71860135
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 120818618
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride
CID 120819071
1-[3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9488517
1-[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]cinnolin-4-one
CID 94643325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one?
The IUPAC name of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one (CID 120815195) is 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one.
What is the SMILES notation for 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one?
The canonical SMILES for 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one is CC1(C)CN(C(=O)CCn2ncc(=O)c3ccccc32)CCC1N.
What is the InChIKey of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one?
The InChIKey is QRZKKBUZYAQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2)12-21(9-7-16(18)19)17(24)8-10-22-14-6-4-3-5-13(14)15(23)11-20-22/h3-6,11,16H,7-10,12,19H2,1-2H3.
What are the key properties of 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one?
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one is sourced from PubChem (CID 120815195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).