7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one

C22H23N3O3 — CID 92611469

IUPAC7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESCOCc1ccc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-14-15-4-6-17(7-5-15)22(27)25-11-8-16(9-12-25)19-13-20-18(21(26)24-19)3-2-10-23-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,24,26)
InChIKeyUKXHTKXOMALCGX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.09
Rot. Bonds4

About 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one

7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92611469) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92611469
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
SMILESCOCc1ccc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-14-15-4-6-17(7-5-15)22(27)25-11-8-16(9-12-25)19-13-20-18(21(26)24-19)3-2-10-23-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,24,26)
InChIKeyUKXHTKXOMALCGX-UHFFFAOYSA-N
XLogP3.09
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one (CID 92611469) is 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one is COCc1ccc(C(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is UKXHTKXOMALCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-14-15-4-6-17(7-5-15)22(27)25-11-8-16(9-12-25)19-13-20-18(21(26)24-19)3-2-10-23-20/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,24,26).
What are the key properties of 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one?
7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 377.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92611469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).