3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide

C30H38FN3O — CID 142579632

IUPAC3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCCC3)c3ccc(F)cc23)c1
InChIInChI=1S/C30H38FN3O/c1-21-6-5-9-23(16-21)26(18-30(35)33-25-12-14-32-15-13-25)28-20-34(19-22-7-3-2-4-8-22)29-11-10-24(31)17-27(28)29/h5-6,9-11,16-17,20,22,25-26,32H,2-4,7-8,12-15,18-19H2,1H3,(H,33,35)
InChIKeyMDMIYKKJPUENIF-UHFFFAOYSA-N
MW475.65 g/mol
LogP6.06
Rot. Bonds7

About 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide

3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide (PubChem CID 142579632) has the molecular formula C30H38FN3O and a molecular weight of 475.65 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
PubChem CID142579632
Molecular FormulaC30H38FN3O
Molecular Weight475.65 g/mol
Exact Mass475.30
IUPAC Name3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCCC3)c3ccc(F)cc23)c1
InChIInChI=1S/C30H38FN3O/c1-21-6-5-9-23(16-21)26(18-30(35)33-25-12-14-32-15-13-25)28-20-34(19-22-7-3-2-4-8-22)29-11-10-24(31)17-27(28)29/h5-6,9-11,16-17,20,22,25-26,32H,2-4,7-8,12-15,18-19H2,1H3,(H,33,35)
InChIKeyMDMIYKKJPUENIF-UHFFFAOYSA-N
XLogP6.06
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.65
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579601
N-(4-aminocyclohexyl)-3-[5-cyano-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 162459873
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
N-(4-aminocyclohexyl)-3-[5-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579439
3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579489
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
4-[5-bromo-1-(oxan-4-ylmethyl)indol-3-yl]-4-(3-methylphenyl)-1-piperidin-4-ylbutan-2-one
CID 158951631

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide (CID 142579632) is 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide is Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCCC3)c3ccc(F)cc23)c1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The InChIKey is MDMIYKKJPUENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O/c1-21-6-5-9-23(16-21)26(18-30(35)33-25-12-14-32-15-13-25)28-20-34(19-22-7-3-2-4-8-22)29-11-10-24(31)17-27(28)29/h5-6,9-11,16-17,20,22,25-26,32H,2-4,7-8,12-15,18-19H2,1H3,(H,33,35).
What are the key properties of 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide has a molecular weight of 475.65 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 142579632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).