5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one

C26H37FN2O3 — CID 146842552

IUPAC5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCOCC(=O)CC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccc(F)cc21
InChIInChI=1S/C26H37FN2O3/c1-17(2)18-4-7-20(8-5-18)28-12-10-21(11-13-28)29-25-9-6-19(27)14-23(25)24(26(29)31)15-22(30)16-32-3/h6,9,14,17-18,20-21,24H,4-5,7-8,10-13,15-16H2,1-3H3
InChIKeySGKVXKIRYINHNV-UHFFFAOYSA-N
MW444.59 g/mol
LogP4.54
Rot. Bonds7

About 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one

5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (PubChem CID 146842552) has the molecular formula C26H37FN2O3 and a molecular weight of 444.59 g/mol. Its IUPAC name is 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
PubChem CID146842552
Molecular FormulaC26H37FN2O3
Molecular Weight444.59 g/mol
Exact Mass444.28
IUPAC Name5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
SMILESCOCC(=O)CC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccc(F)cc21
InChIInChI=1S/C26H37FN2O3/c1-17(2)18-4-7-20(8-5-18)28-12-10-21(11-13-28)29-25-9-6-19(27)14-23(25)24(26(29)31)15-22(30)16-32-3/h6,9,14,17-18,20-21,24H,4-5,7-8,10-13,15-16H2,1-3H3
InChIKeySGKVXKIRYINHNV-UHFFFAOYSA-N
XLogP4.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.59
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one with MolForge

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Related Compounds

2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide
CID 134563441
N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide
CID 134578397
2-[5-fluoro-2-oxo-1-[1-(4-propan-2-ylidenecyclohexyl)piperidin-4-yl]-3H-indol-3-yl]acetonitrile
CID 134563454
2-oxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3-(pyrrolidin-3-ylmethyl)-3H-indole-5-carbonitrile
CID 134563559
[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563625
[5-fluoro-3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 139547536
[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
CID 134578491
[5-fluoro-3-(hydroxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563451
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516
(3S)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 98081143
4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 24799142
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one (CID 146842552) is 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is COCC(=O)CC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
The InChIKey is SGKVXKIRYINHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O3/c1-17(2)18-4-7-20(8-5-18)28-12-10-21(11-13-28)29-25-9-6-19(27)14-23(25)24(26(29)31)15-22(30)16-32-3/h6,9,14,17-18,20-21,24H,4-5,7-8,10-13,15-16H2,1-3H3.
What are the key properties of 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one?
5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one has a molecular weight of 444.59 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 146842552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).