5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid

C26H27FN4O4 — CID 134346933

IUPAC5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
SMILESNc1ccc2c(c1)Oc1c(N3CCC(N4CCCCC4)CC3)c(F)cc3c(=O)c(C(=O)O)cn-2c13
InChIInChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
InChIKeyHHDZCZBZRYJKST-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.97
Rot. Bonds3

About 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid

5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid (PubChem CID 134346933) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid.

Molecular Properties

Compound Name5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
PubChem CID134346933
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid
SMILESNc1ccc2c(c1)Oc1c(N3CCC(N4CCCCC4)CC3)c(F)cc3c(=O)c(C(=O)O)cn-2c13
InChIInChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34)
InChIKeyHHDZCZBZRYJKST-UHFFFAOYSA-N
XLogP3.97
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ofloxacin
CID 4583
Levofloxacin
CID 149096
Levofloxacin Hydrate
CID 3033924
Ofloxacin, D-
CID 452723
CID 6956357
CID 6956357
N-Desmethyl levofloxacin
CID 10958963
Levofloxacin hydrochloride
CID 9908810
N-Desmethyl ofloxacin
CID 11725233
(2S)-6-(4-aminopiperazin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 46829291
A 74932
CID 132825
9-fluoro-3-methyl-10-(4-methylpiperazin-4-ium-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
CID 3288597
9-Amino-5,6-difluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid
CID 372621

Frequently Asked Questions

What is the IUPAC name of 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The IUPAC name of 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid (CID 134346933) is 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid.
What is the SMILES notation for 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The canonical SMILES for 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid is Nc1ccc2c(c1)Oc1c(N3CCC(N4CCCCC4)CC3)c(F)cc3c(=O)c(C(=O)O)cn-2c13.
What is the InChIKey of 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
The InChIKey is HHDZCZBZRYJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c27-19-13-17-22-25(23(19)30-10-6-16(7-11-30)29-8-2-1-3-9-29)35-21-12-15(28)4-5-20(21)31(22)14-18(24(17)32)26(33)34/h4-5,12-14,16H,1-3,6-11,28H2,(H,33,34).
What are the key properties of 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid?
5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid has a molecular weight of 478.52 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-11-fluoro-14-oxo-10-(4-piperidin-1-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxylic acid is sourced from PubChem (CID 134346933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).