N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide

C23H32FN3O2 — CID 134578397

IUPACN-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccc(F)cc21
InChIInChI=1S/C23H32FN3O2/c1-15(2)22(28)25-21-19-14-16(24)8-9-20(19)27(23(21)29)18-10-12-26(13-11-18)17-6-4-3-5-7-17/h8-9,14-15,17-18,21H,3-7,10-13H2,1-2H3,(H,25,28)
InChIKeyMPPSPNNFPGSWQY-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide

N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide (PubChem CID 134578397) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide
PubChem CID134578397
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC NameN-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccc(F)cc21
InChIInChI=1S/C23H32FN3O2/c1-15(2)22(28)25-21-19-14-16(24)8-9-20(19)27(23(21)29)18-10-12-26(13-11-18)17-6-4-3-5-7-17/h8-9,14-15,17-18,21H,3-7,10-13H2,1-2H3,(H,25,28)
InChIKeyMPPSPNNFPGSWQY-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 146842552
(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
3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one;hydrochloride
CID 71432476
2-[5-fluoro-2-oxo-1-[1-(4-propan-2-ylidenecyclohexyl)piperidin-4-yl]-3H-indol-3-yl]acetonitrile
CID 134563454
2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-5-fluoro-2-oxo-3H-indol-3-yl]acetamide
CID 134563441
(2S)-N-[(2R,3R)-5-cyclohexyl-2-(2,5-difluorophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 11758473
N-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetamide
CID 2952221
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
methyl 1-[4-(1-cyclooctylpiperidin-4-yl)-1-methyl-3-oxo-2H-quinoxalin-2-yl]pyrrolidine-3-carboxylate
CID 163639285

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide (CID 134578397) is N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1C(=O)N(C2CCN(C3CCCCC3)CC2)c2ccc(F)cc21.
What is the InChIKey of N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide?
The InChIKey is MPPSPNNFPGSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-15(2)22(28)25-21-19-14-16(24)8-9-20(19)27(23(21)29)18-10-12-26(13-11-18)17-6-4-3-5-7-17/h8-9,14-15,17-18,21H,3-7,10-13H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide?
N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide has a molecular weight of 401.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexylpiperidin-4-yl)-5-fluoro-2-oxo-3H-indol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 134578397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).