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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Related Compounds

7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
CID 22931147
7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92597472
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92571730
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
(4aS,8aR)-6-[4-(methoxymethyl)benzoyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135744
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95850835
[4-(methoxymethyl)phenyl]-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92611482

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).