3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one

C15H18N4O2 — CID 124575581

IUPAC3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
SMILESCN[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc3c2=O)C1
InChIInChI=1S/C15H18N4O2/c1-16-10-5-4-8-19(9-10)15(21)13-14(20)11-6-2-3-7-12(11)17-18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyRBZZOSAKCQMREJ-SNVBAGLBSA-N
MW286.33 g/mol
LogP0.75
Rot. Bonds2

About 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one

3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one (PubChem CID 124575581) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
PubChem CID124575581
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
SMILESCN[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc3c2=O)C1
InChIInChI=1S/C15H18N4O2/c1-16-10-5-4-8-19(9-10)15(21)13-14(20)11-6-2-3-7-12(11)17-18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyRBZZOSAKCQMREJ-SNVBAGLBSA-N
XLogP0.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
3-[4-(2-chlorobenzoyl)-1,4-diazepane-1-carbonyl]-1H-cinnolin-4-one
CID 86937466
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124998301
1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95337039
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
3-[(2S,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124592707
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one?
The IUPAC name of 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one (CID 124575581) is 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one.
What is the SMILES notation for 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one?
The canonical SMILES for 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one is CN[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc3c2=O)C1.
What is the InChIKey of 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one?
The InChIKey is RBZZOSAKCQMREJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-10-5-4-8-19(9-10)15(21)13-14(20)11-6-2-3-7-12(11)17-18-13/h2-3,6-7,10,16H,4-5,8-9H2,1H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one?
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one is sourced from PubChem (CID 124575581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).