7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one

C18H21N3O2 — CID 92583326

IUPAC7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H21N3O2/c1-11-9-14(11)18(23)21-7-4-12(5-8-21)15-10-16-13(17(22)20-15)3-2-6-19-16/h2-3,6,10-12,14H,4-5,7-9H2,1H3,(H,20,22)/t11-,14-/m0/s1
InChIKeyXFQQQQYTIVZRAC-FZMZJTMJSA-N
MW311.38 g/mol
LogP2.29
Rot. Bonds2

About 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one

7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92583326) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92583326
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H21N3O2/c1-11-9-14(11)18(23)21-7-4-12(5-8-21)15-10-16-13(17(22)20-15)3-2-6-19-16/h2-3,6,10-12,14H,4-5,7-9H2,1H3,(H,20,22)/t11-,14-/m0/s1
InChIKeyXFQQQQYTIVZRAC-FZMZJTMJSA-N
XLogP2.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one (CID 92583326) is 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one is C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1.
What is the InChIKey of 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is XFQQQQYTIVZRAC-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-9-14(11)18(23)21-7-4-12(5-8-21)15-10-16-13(17(22)20-15)3-2-6-19-16/h2-3,6,10-12,14H,4-5,7-9H2,1H3,(H,20,22)/t11-,14-/m0/s1.
What are the key properties of 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 311.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92583326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).