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

C24H24FN4O2+ — CID 123479425

IUPAC1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
SMILESCC1CCN(C(=O)Cc2ccc(F)cc2)CC1n1ccc(=O)c2c[nH+]c3[nH]ccc3c21
InChIInChI=1S/C24H23FN4O2/c1-15-7-10-28(22(31)12-16-2-4-17(25)5-3-16)14-20(15)29-11-8-21(30)19-13-27-24-18(23(19)29)6-9-26-24/h2-6,8-9,11,13,15,20H,7,10,12,14H2,1H3,(H,26,27)/p+1
InChIKeyZZXVPFHHGRYFFT-UHFFFAOYSA-O
MW419.48 g/mol
LogP3.09
Rot. Bonds3

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

1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one (PubChem CID 123479425) has the molecular formula C24H24FN4O2+ and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
PubChem CID123479425
Molecular FormulaC24H24FN4O2+
Molecular Weight419.48 g/mol
Exact Mass419.19
IUPAC Name1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
SMILESCC1CCN(C(=O)Cc2ccc(F)cc2)CC1n1ccc(=O)c2c[nH+]c3[nH]ccc3c21
InChIInChI=1S/C24H23FN4O2/c1-15-7-10-28(22(31)12-16-2-4-17(25)5-3-16)14-20(15)29-11-8-21(30)19-13-27-24-18(23(19)29)6-9-26-24/h2-6,8-9,11,13,15,20H,7,10,12,14H2,1H3,(H,26,27)/p+1
InChIKeyZZXVPFHHGRYFFT-UHFFFAOYSA-O
XLogP3.09
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-1-[(2,3-difluorophenyl)methyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one
CID 123761149
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
1-[4-methyl-3-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 77397480
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
1-[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-(4-fluorophenyl)ethanone
CID 124831498
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one (CID 123479425) is 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one is CC1CCN(C(=O)Cc2ccc(F)cc2)CC1n1ccc(=O)c2c[nH+]c3[nH]ccc3c21.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
The InChIKey is ZZXVPFHHGRYFFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23FN4O2/c1-15-7-10-28(22(31)12-16-2-4-17(25)5-3-16)14-20(15)29-11-8-21(30)19-13-27-24-18(23(19)29)6-9-26-24/h2-6,8-9,11,13,15,20H,7,10,12,14H2,1H3,(H,26,27)/p+1.
What are the key properties of 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one?
1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-4-one is sourced from PubChem (CID 123479425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).