1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one

C22H27N4O2+ — CID 123383139

IUPAC1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
SMILESCC1CCN(C(=O)C2CCCC2)CC1n1ccc(=O)c2c[nH+]c3[nH]ccc3c21
InChIInChI=1S/C22H26N4O2/c1-14-7-10-25(22(28)15-4-2-3-5-15)13-18(14)26-11-8-19(27)17-12-24-21-16(20(17)26)6-9-23-21/h6,8-9,11-12,14-15,18H,2-5,7,10,13H2,1H3,(H,23,24)/p+1
InChIKeyQTAOFGBUJLMMMU-UHFFFAOYSA-O
MW379.48 g/mol
LogP2.90
Rot. Bonds2

About 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one

1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one (PubChem CID 123383139) has the molecular formula C22H27N4O2+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
PubChem CID123383139
Molecular FormulaC22H27N4O2+
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
SMILESCC1CCN(C(=O)C2CCCC2)CC1n1ccc(=O)c2c[nH+]c3[nH]ccc3c21
InChIInChI=1S/C22H26N4O2/c1-14-7-10-25(22(28)15-4-2-3-5-15)13-18(14)26-11-8-19(27)17-12-24-21-16(20(17)26)6-9-23-21/h6,8-9,11-12,14-15,18H,2-5,7,10,13H2,1H3,(H,23,24)/p+1
InChIKeyQTAOFGBUJLMMMU-UHFFFAOYSA-O
XLogP2.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
CID 123479425
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
(4-tert-butylcyclohexyl)-(4-methyl-3-pyrrolo[2,3-h][1,6]naphthyridin-1-ylpiperidin-1-yl)methanone
CID 141355615
cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498190
cyclohexyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498355
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one (CID 123383139) is 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one is CC1CCN(C(=O)C2CCCC2)CC1n1ccc(=O)c2c[nH+]c3[nH]ccc3c21.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
The InChIKey is QTAOFGBUJLMMMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O2/c1-14-7-10-25(22(28)15-4-2-3-5-15)13-18(14)26-11-8-19(27)17-12-24-21-16(20(17)26)6-9-23-21/h6,8-9,11-12,14-15,18H,2-5,7,10,13H2,1H3,(H,23,24)/p+1.
What are the key properties of 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one has a molecular weight of 379.48 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one is sourced from PubChem (CID 123383139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).