N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide

C24H27FN4O4S — CID 3737646

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCNCC1
InChIInChI=1S/C24H27FN4O4S/c1-34(32,33)21-5-3-2-4-18(21)22(30)29-24(9-12-26-13-10-24)23(31)27-11-8-16-15-28-20-7-6-17(25)14-19(16)20/h2-7,14-15,26,28H,8-13H2,1H3,(H,27,31)(H,29,30)
InChIKeyRINOHXVEJOMSMN-UHFFFAOYSA-N
MW486.57 g/mol
LogP1.92
Rot. Bonds7

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide (PubChem CID 3737646) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide
PubChem CID3737646
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCNCC1
InChIInChI=1S/C24H27FN4O4S/c1-34(32,33)21-5-3-2-4-18(21)22(30)29-24(9-12-26-13-10-24)23(31)27-11-8-16-15-28-20-7-6-17(25)14-19(16)20/h2-7,14-15,26,28H,8-13H2,1H3,(H,27,31)(H,29,30)
InChIKeyRINOHXVEJOMSMN-UHFFFAOYSA-N
XLogP1.92
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide
CID 23910257
2-(1,3-benzodioxol-5-yloxy)-N-[4-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3760052
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]piperidine-4-carboxamide
CID 4987892
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide
CID 23855231
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide
CID 3559116
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
4-[3-(3-bromo-4-fluorophenyl)prop-2-enoyl-methylamino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 68852518
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[(2,4-difluorophenyl)methyl]-4-[(4-fluoronaphthalene-1-carbonyl)amino]piperidine-4-carboxamide
CID 3805914
tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
CID 71851484

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide (CID 3737646) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide is CS(=O)(=O)c1ccccc1C(=O)NC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCNCC1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide?
The InChIKey is RINOHXVEJOMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-34(32,33)21-5-3-2-4-18(21)22(30)29-24(9-12-26-13-10-24)23(31)27-11-8-16-15-28-20-7-6-17(25)14-19(16)20/h2-7,14-15,26,28H,8-13H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 3737646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).