N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

C19H26N4O3 — CID 120887565

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCOCC1(CNC(=O)CCn2ncc(=O)c3ccccc32)CCNCC1
InChIInChI=1S/C19H26N4O3/c1-26-14-19(7-9-20-10-8-19)13-21-18(25)6-11-23-16-5-3-2-4-15(16)17(24)12-22-23/h2-5,12,20H,6-11,13-14H2,1H3,(H,21,25)
InChIKeyPLRZQRWZNQRVFT-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.92
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 120887565) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID120887565
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESCOCC1(CNC(=O)CCn2ncc(=O)c3ccccc32)CCNCC1
InChIInChI=1S/C19H26N4O3/c1-26-14-19(7-9-20-10-8-19)13-21-18(25)6-11-23-16-5-3-2-4-15(16)17(24)12-22-23/h2-5,12,20H,6-11,13-14H2,1H3,(H,21,25)
InChIKeyPLRZQRWZNQRVFT-UHFFFAOYSA-N
XLogP0.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17490457
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 120889437
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 60577994
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(triazol-1-yl)propanamide
CID 120889885
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55964795

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 120887565) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is COCC1(CNC(=O)CCn2ncc(=O)c3ccccc32)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is PLRZQRWZNQRVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-26-14-19(7-9-20-10-8-19)13-21-18(25)6-11-23-16-5-3-2-4-15(16)17(24)12-22-23/h2-5,12,20H,6-11,13-14H2,1H3,(H,21,25).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 120887565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).