N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C20H28N4O4S — CID 22552766

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C20H28N4O4S/c25-20(21-8-7-16-14-22-19-6-2-1-5-18(16)19)17-4-3-9-24(15-17)29(26,27)23-10-12-28-13-11-23/h1-2,5-6,14,17,22H,3-4,7-13,15H2,(H,21,25)
InChIKeyKVQRMKQMVWMYQC-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.12
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552766) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552766
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C20H28N4O4S/c25-20(21-8-7-16-14-22-19-6-2-1-5-18(16)19)17-4-3-9-24(15-17)29(26,27)23-10-12-28-13-11-23/h1-2,5-6,14,17,22H,3-4,7-13,15H2,(H,21,25)
InChIKeyKVQRMKQMVWMYQC-UHFFFAOYSA-N
XLogP1.12
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92687219
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 1272760
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26710909
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 22552766) is N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KVQRMKQMVWMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-20(21-8-7-16-14-22-19-6-2-1-5-18(16)19)17-4-3-9-24(15-17)29(26,27)23-10-12-28-13-11-23/h1-2,5-6,14,17,22H,3-4,7-13,15H2,(H,21,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).