9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C19H25N3O2 — CID 58424869

IUPAC9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESO=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CCCN2
InChIInChI=1S/C19H25N3O2/c23-19-15-5-4-8-20-18(15)16-13-14(6-7-17(16)21-19)24-12-11-22-9-2-1-3-10-22/h6-7,13,20H,1-5,8-12H2,(H,21,23)
InChIKeyCIDDJBBSMNIHTL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.75
Rot. Bonds4

About 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424869) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424869
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESO=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CCCN2
InChIInChI=1S/C19H25N3O2/c23-19-15-5-4-8-20-18(15)16-13-14(6-7-17(16)21-19)24-12-11-22-9-2-1-3-10-22/h6-7,13,20H,1-5,8-12H2,(H,21,23)
InChIKeyCIDDJBBSMNIHTL-UHFFFAOYSA-N
XLogP2.75
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Related Compounds

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3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
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6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
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CID 979227
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CID 9974962
N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-o-tolylpiperidine-4-carboxamide
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4-benzyloxy-1-{4-[2-(1-piperidinyl)ethoxy]phenyl}-1H-pyridin-2-one
CID 24780883
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CID 25014774

Frequently Asked Questions

What is the IUPAC name of 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424869) is 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is O=c1[nH]c2ccc(OCCN3CCCCC3)cc2c2c1CCCN2.
What is the InChIKey of 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is CIDDJBBSMNIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19-15-5-4-8-20-18(15)16-13-14(6-7-17(16)21-19)24-12-11-22-9-2-1-3-10-22/h6-7,13,20H,1-5,8-12H2,(H,21,23).
What are the key properties of 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 327.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).