N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide

C20H28N4OS — CID 119065686

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C20H28N4OS/c25-20(21-8-5-16-15-22-19-4-2-1-3-18(16)19)24-11-9-23(10-12-24)17-6-13-26-14-7-17/h1-4,15,17,22H,5-14H2,(H,21,25)
InChIKeyAHKDUJZFHGIZCS-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide (PubChem CID 119065686) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
PubChem CID119065686
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C20H28N4OS/c25-20(21-8-5-16-15-22-19-4-2-1-3-18(16)19)24-11-9-23(10-12-24)17-6-13-26-14-7-17/h1-4,15,17,22H,5-14H2,(H,21,25)
InChIKeyAHKDUJZFHGIZCS-UHFFFAOYSA-N
XLogP2.93
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71925653
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide (CID 119065686) is N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)N1CCN(C2CCSCC2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide?
The InChIKey is AHKDUJZFHGIZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c25-20(21-8-5-16-15-22-19-4-2-1-3-18(16)19)24-11-9-23(10-12-24)17-6-13-26-14-7-17/h1-4,15,17,22H,5-14H2,(H,21,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 119065686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).