1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one

C17H26N4O3 — CID 118036658

IUPAC1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one
SMILESCOC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2
InChIInChI=1S/C17H26N4O3/c1-20-7-8-21(14(22)11-20)10-13-9-12-5-4-6-18-16(12)19-15(13)17(23-2)24-3/h9,17H,4-8,10-11H2,1-3H3,(H,18,19)
InChIKeyGOSYUJDNSJUVHT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.01
Rot. Bonds5

About 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one

1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one (PubChem CID 118036658) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one
PubChem CID118036658
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one
SMILESCOC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2
InChIInChI=1S/C17H26N4O3/c1-20-7-8-21(14(22)11-20)10-13-9-12-5-4-6-18-16(12)19-15(13)17(23-2)24-3/h9,17H,4-8,10-11H2,1-3H3,(H,18,19)
InChIKeyGOSYUJDNSJUVHT-UHFFFAOYSA-N
XLogP1.01
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one (CID 118036658) is 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one is COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2.
What is the InChIKey of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one?
The InChIKey is GOSYUJDNSJUVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20-7-8-21(14(22)11-20)10-13-9-12-5-4-6-18-16(12)19-15(13)17(23-2)24-3/h9,17H,4-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one?
1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 118036658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).