2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C22H32N4O3S — CID 20918879

IUPAC2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCCN1CCCC1
InChIInChI=1S/C22H32N4O3S/c27-22(23-10-6-13-24-11-4-5-12-24)18-25-16-9-19-17-20(7-8-21(19)25)30(28,29)26-14-2-1-3-15-26/h7-9,16-17H,1-6,10-15,18H2,(H,23,27)
InChIKeyAINUJPPMVAQCPC-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.42
Rot. Bonds8

About 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 20918879) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID20918879
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCCN1CCCC1
InChIInChI=1S/C22H32N4O3S/c27-22(23-10-6-13-24-11-4-5-12-24)18-25-16-9-19-17-20(7-8-21(19)25)30(28,29)26-14-2-1-3-15-26/h7-9,16-17H,1-6,10-15,18H2,(H,23,27)
InChIKeyAINUJPPMVAQCPC-UHFFFAOYSA-N
XLogP2.42
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20918891
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46278529
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 98472786
N-(3-pyrrolidin-1-ylpropyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064377
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918968
N-[(4-methoxyphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 24789970

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 20918879) is 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCCN1CCCC1.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is AINUJPPMVAQCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c27-22(23-10-6-13-24-11-4-5-12-24)18-25-16-9-19-17-20(7-8-21(19)25)30(28,29)26-14-2-1-3-15-26/h7-9,16-17H,1-6,10-15,18H2,(H,23,27).
What are the key properties of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 432.59 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 20918879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).