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

C26H27FN4O3 — CID 23910257

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide
SMILESCc1c(C(=O)NC2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCNCC2)oc2ccccc12
InChIInChI=1S/C26H27FN4O3/c1-16-19-4-2-3-5-22(19)34-23(16)24(32)31-26(9-12-28-13-10-26)25(33)29-11-8-17-15-30-21-7-6-18(27)14-20(17)21/h2-7,14-15,28,30H,8-13H2,1H3,(H,29,33)(H,31,32)
InChIKeyKRTWSQNTWPDISC-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.57
Rot. Bonds6

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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide (PubChem CID 23910257) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide
PubChem CID23910257
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide
SMILESCc1c(C(=O)NC2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCNCC2)oc2ccccc12
InChIInChI=1S/C26H27FN4O3/c1-16-19-4-2-3-5-22(19)34-23(16)24(32)31-26(9-12-28-13-10-26)25(33)29-11-8-17-15-30-21-7-6-18(27)14-20(17)21/h2-7,14-15,28,30H,8-13H2,1H3,(H,29,33)(H,31,32)
InChIKeyKRTWSQNTWPDISC-UHFFFAOYSA-N
XLogP3.57
TPSA99.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide with MolForge

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Related Compounds

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]-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-[3-(3-methylindol-1-yl)propanoylamino]piperidine-4-carboxamide
CID 23855231
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[3-nitro-5-(trifluoromethyl)benzoyl]amino]piperidine-4-carboxamide
CID 4987892
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]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 4899000
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
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
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide (CID 23910257) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide is Cc1c(C(=O)NC2(C(=O)NCCc3c[nH]c4ccc(F)cc34)CCNCC2)oc2ccccc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide?
The InChIKey is KRTWSQNTWPDISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-16-19-4-2-3-5-22(19)34-23(16)24(32)31-26(9-12-28-13-10-26)25(33)29-11-8-17-15-30-21-7-6-18(27)14-20(17)21/h2-7,14-15,28,30H,8-13H2,1H3,(H,29,33)(H,31,32).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.57, 6 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-methyl-1-benzofuran-2-carbonyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 23910257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).