2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one

C19H27N3O2 — CID 46194476

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCCN1CCc2nc(OC3CCN(CC4CC4)CC3)ccc2C1=O
InChIInChI=1S/C19H27N3O2/c1-2-22-12-9-17-16(19(22)23)5-6-18(20-17)24-15-7-10-21(11-8-15)13-14-3-4-14/h5-6,14-15H,2-4,7-13H2,1H3
InChIKeyTYFASFRAYQZXEZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.35
Rot. Bonds5

About 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one

2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 46194476) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID46194476
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCCN1CCc2nc(OC3CCN(CC4CC4)CC3)ccc2C1=O
InChIInChI=1S/C19H27N3O2/c1-2-22-12-9-17-16(19(22)23)5-6-18(20-17)24-15-7-10-21(11-8-15)13-14-3-4-14/h5-6,14-15H,2-4,7-13H2,1H3
InChIKeyTYFASFRAYQZXEZ-UHFFFAOYSA-N
XLogP2.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one (CID 46194476) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one is CCN1CCc2nc(OC3CCN(CC4CC4)CC3)ccc2C1=O.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is TYFASFRAYQZXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-22-12-9-17-16(19(22)23)5-6-18(20-17)24-15-7-10-21(11-8-15)13-14-3-4-14/h5-6,14-15H,2-4,7-13H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one?
2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 329.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 46194476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).