N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide

C18H24N4O2 — CID 95156093

IUPACN-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCCN1CCC[C@H](NC(=O)CCn2ncc(=O)c3ccccc32)C1
InChIInChI=1S/C18H24N4O2/c1-2-21-10-5-6-14(13-21)20-18(24)9-11-22-16-8-4-3-7-15(16)17(23)12-19-22/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeySRMGTDUFNBMGBA-AWEZNQCLSA-N
MW328.42 g/mol
LogP1.39
Rot. Bonds5

About N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide

N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 95156093) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID95156093
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCCN1CCC[C@H](NC(=O)CCn2ncc(=O)c3ccccc32)C1
InChIInChI=1S/C18H24N4O2/c1-2-21-10-5-6-14(13-21)20-18(24)9-11-22-16-8-4-3-7-15(16)17(23)12-19-22/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeySRMGTDUFNBMGBA-AWEZNQCLSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11282296
2,4-Dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
CID 155818523
N-(3-acetylphenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
CID 4902649
N-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)-4-hydroxy-3-quinolinecarboxamide
CID 3073104
N-[2-(dimethylamino)ethyl]-2-oxo-7H-benzo[a]phenazine-11-carboxamide
CID 9925052
4-Hydroxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10160500
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylquinazolin-4-one
CID 153574202
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574348
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 724204
N-{2-[(4-methylpiperazinyl)carbonyl]phenyl}-2-phenylacetamide
CID 673371
2-Methyl-3-(piperidin-1-ylmethyl)quinolin-4-ol
CID 710590
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]propanamide
CID 1268380

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide (CID 95156093) is N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide is CCN1CCC[C@H](NC(=O)CCn2ncc(=O)c3ccccc32)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is SRMGTDUFNBMGBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-21-10-5-6-14(13-21)20-18(24)9-11-22-16-8-4-3-7-15(16)17(23)12-19-22/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 95156093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).