8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

C18H26N4O2 — CID 122180555

IUPAC8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCOCCCN1CCC(Nc2nccc3cc(C)c(=O)[nH]c23)CC1
InChIInChI=1S/C18H26N4O2/c1-13-12-14-4-7-19-17(16(14)21-18(13)23)20-15-5-9-22(10-6-15)8-3-11-24-2/h4,7,12,15H,3,5-6,8-11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyOCSIFYIIWGEOMT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds6

About 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 122180555) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID122180555
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCOCCCN1CCC(Nc2nccc3cc(C)c(=O)[nH]c23)CC1
InChIInChI=1S/C18H26N4O2/c1-13-12-14-4-7-19-17(16(14)21-18(13)23)20-15-5-9-22(10-6-15)8-3-11-24-2/h4,7,12,15H,3,5-6,8-11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyOCSIFYIIWGEOMT-UHFFFAOYSA-N
XLogP2.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (CID 122180555) is 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is COCCCN1CCC(Nc2nccc3cc(C)c(=O)[nH]c23)CC1.
What is the InChIKey of 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is OCSIFYIIWGEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-12-14-4-7-19-17(16(14)21-18(13)23)20-15-5-9-22(10-6-15)8-3-11-24-2/h4,7,12,15H,3,5-6,8-11H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122180555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).