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

C28H32FN5O2 — CID 23855231

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide
SMILESCc1cn(CCC(=O)NC2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCNCC2)c2ccccc12
InChIInChI=1S/C28H32FN5O2/c1-19-18-34(25-5-3-2-4-22(19)25)15-9-26(35)33-28(10-13-30-14-11-28)27(36)31-12-8-20-17-32-24-7-6-21(29)16-23(20)24/h2-7,16-18,30,32H,8-15H2,1H3,(H,31,36)(H,33,35)
InChIKeyQXVDXOWCHBUQGS-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.56
Rot. Bonds8

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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide (PubChem CID 23855231) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide
PubChem CID23855231
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide
SMILESCc1cn(CCC(=O)NC2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCNCC2)c2ccccc12
InChIInChI=1S/C28H32FN5O2/c1-19-18-34(25-5-3-2-4-22(19)25)15-9-26(35)33-28(10-13-30-14-11-28)27(36)31-12-8-20-17-32-24-7-6-21(29)16-23(20)24/h2-7,16-18,30,32H,8-15H2,1H3,(H,31,36)(H,33,35)
InChIKeyQXVDXOWCHBUQGS-UHFFFAOYSA-N
XLogP3.56
TPSA90.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
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]-4-[(2-methylsulfonylbenzoyl)amino]piperidine-4-carboxamide
CID 3737646
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide
CID 71706857
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]piperidine-4-carboxamide
CID 4987892
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
2-(1,3-benzodioxol-5-yloxy)-N-[4-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3760052
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
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide (CID 23855231) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide is Cc1cn(CCC(=O)NC2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCNCC2)c2ccccc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide?
The InChIKey is QXVDXOWCHBUQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-19-18-34(25-5-3-2-4-22(19)25)15-9-26(35)33-28(10-13-30-14-11-28)27(36)31-12-8-20-17-32-24-7-6-21(29)16-23(20)24/h2-7,16-18,30,32H,8-15H2,1H3,(H,31,36)(H,33,35).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 3.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide is sourced from PubChem (CID 23855231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).