3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide

C18H26N4O4S — CID 119559224

IUPAC3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)NCCC3CCCNC3)c2)CCN1
InChIInChI=1S/C18H26N4O4S/c23-17-13-22(10-9-20-17)27(25,26)16-5-1-4-15(11-16)18(24)21-8-6-14-3-2-7-19-12-14/h1,4-5,11,14,19H,2-3,6-10,12-13H2,(H,20,23)(H,21,24)
InChIKeyDADUASWNMKFUFR-UHFFFAOYSA-N
MW394.50 g/mol
LogP-0.07
Rot. Bonds6

About 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide

3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119559224) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119559224
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)NCCC3CCCNC3)c2)CCN1
InChIInChI=1S/C18H26N4O4S/c23-17-13-22(10-9-20-17)27(25,26)16-5-1-4-15(11-16)18(24)21-8-6-14-3-2-7-19-12-14/h1,4-5,11,14,19H,2-3,6-10,12-13H2,(H,20,23)(H,21,24)
InChIKeyDADUASWNMKFUFR-UHFFFAOYSA-N
XLogP-0.07
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 56558648
N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 36619157
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 43071255
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
N-[(2R)-2-(ethylamino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 120653983
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559372
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462393
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide (CID 119559224) is 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide is O=C1CN(S(=O)(=O)c2cccc(C(=O)NCCC3CCCNC3)c2)CCN1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is DADUASWNMKFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c23-17-13-22(10-9-20-17)27(25,26)16-5-1-4-15(11-16)18(24)21-8-6-14-3-2-7-19-12-14/h1,4-5,11,14,19H,2-3,6-10,12-13H2,(H,20,23)(H,21,24).
What are the key properties of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide?
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119559224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).