[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C20H25N3O4 — CID 7246320

IUPAC[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)N2CCC[C@H](C)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H25N3O4/c1-4-22-11-16(18(25)15-8-7-14(3)21-19(15)22)20(26)27-12-17(24)23-9-5-6-13(2)10-23/h7-8,11,13H,4-6,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyPFWXBAFKVFXANE-ZDUSSCGKSA-N
MW371.44 g/mol
LogP2.14
Rot. Bonds4

About [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 7246320) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID7246320
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)N2CCC[C@H](C)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H25N3O4/c1-4-22-11-16(18(25)15-8-7-14(3)21-19(15)22)20(26)27-12-17(24)23-9-5-6-13(2)10-23/h7-8,11,13H,4-6,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyPFWXBAFKVFXANE-ZDUSSCGKSA-N
XLogP2.14
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
[2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11881766
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 2997822
1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 42650197
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23741999
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5039578
1-ethyl-7-methyl-3-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645703
1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645686
[2-[[(2R)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 2548951
imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102083348

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 7246320) is [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)N2CCC[C@H](C)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is PFWXBAFKVFXANE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-22-11-16(18(25)15-8-7-14(3)21-19(15)22)20(26)27-12-17(24)23-9-5-6-13(2)10-23/h7-8,11,13H,4-6,9-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 7246320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).