3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide

C20H23N5O4S — CID 30860962

IUPAC3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cn3)c2)CCN1
InChIInChI=1S/C20H23N5O4S/c26-19-14-25(11-8-21-19)30(28,29)17-5-3-4-15(12-17)20(27)23-18-7-6-16(13-22-18)24-9-1-2-10-24/h3-7,12-13H,1-2,8-11,14H2,(H,21,26)(H,22,23,27)
InChIKeyKKOSYZNHRZOKSG-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.05
Rot. Bonds5

About 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide

3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide (PubChem CID 30860962) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
PubChem CID30860962
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cn3)c2)CCN1
InChIInChI=1S/C20H23N5O4S/c26-19-14-25(11-8-21-19)30(28,29)17-5-3-4-15(12-17)20(27)23-18-7-6-16(13-22-18)24-9-1-2-10-24/h3-7,12-13H,1-2,8-11,14H2,(H,21,26)(H,22,23,27)
InChIKeyKKOSYZNHRZOKSG-UHFFFAOYSA-N
XLogP1.05
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559568
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068553
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 43053709
N-(2-chloro-4-fluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559777
N-(5-chloro-2-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46604362
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55661860
N-[2-(dimethylsulfamoyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55985734
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053642
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 43071255

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide (CID 30860962) is 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide is O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cn3)c2)CCN1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
The InChIKey is KKOSYZNHRZOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c26-19-14-25(11-8-21-19)30(28,29)17-5-3-4-15(12-17)20(27)23-18-7-6-16(13-22-18)24-9-1-2-10-24/h3-7,12-13H,1-2,8-11,14H2,(H,21,26)(H,22,23,27).
What are the key properties of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide has a molecular weight of 429.50 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 30860962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).