4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C20H31N3O3S — CID 28566921

IUPAC4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3S/c24-20(21-11-6-14-22-12-4-5-13-22)19-9-7-18(8-10-19)17-27(25,26)23-15-2-1-3-16-23/h7-10H,1-6,11-17H2,(H,21,24)
InChIKeyGMCAZTBYJXWXNA-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.22
Rot. Bonds8

About 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 28566921) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID28566921
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3S/c24-20(21-11-6-14-22-12-4-5-13-22)19-9-7-18(8-10-19)17-27(25,26)23-15-2-1-3-16-23/h7-10H,1-6,11-17H2,(H,21,24)
InChIKeyGMCAZTBYJXWXNA-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969584
N-[3-(furan-2-yl)propyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 53286121
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 38004690
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
N-[2-(4-methylphenyl)sulfanylethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92675752
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 28566921) is 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCC1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is GMCAZTBYJXWXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c24-20(21-11-6-14-22-12-4-5-13-22)19-9-7-18(8-10-19)17-27(25,26)23-15-2-1-3-16-23/h7-10H,1-6,11-17H2,(H,21,24).
What are the key properties of 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 28566921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).