2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide

C19H29N4O4S+ — CID 9070922

IUPAC2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide
SMILESCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(N)=O)CC2)CC1
InChIInChI=1S/C19H28N4O4S/c1-2-21-11-13-22(14-12-21)19(25)15-7-9-23(10-8-15)28(26,27)17-6-4-3-5-16(17)18(20)24/h3-6,15H,2,7-14H2,1H3,(H2,20,24)/p+1
InChIKeySNQJAMHRSHZQAR-UHFFFAOYSA-O
MW409.53 g/mol
LogP-1.07
Rot. Bonds5

About 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide

2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 9070922) has the molecular formula C19H29N4O4S+ and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide
PubChem CID9070922
Molecular FormulaC19H29N4O4S+
Molecular Weight409.53 g/mol
Exact Mass409.19
IUPAC Name2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide
SMILESCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(N)=O)CC2)CC1
InChIInChI=1S/C19H28N4O4S/c1-2-21-11-13-22(14-12-21)19(25)15-7-9-23(10-8-15)28(26,27)17-6-4-3-5-16(17)18(20)24/h3-6,15H,2,7-14H2,1H3,(H2,20,24)/p+1
InChIKeySNQJAMHRSHZQAR-UHFFFAOYSA-O
XLogP-1.07
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-carbamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 8547395
methyl 2-[4-(4-methylidenepiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 56538333
1-(2-carbamoylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 8531440
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242
[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543854
2-(4-methylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 24690272
cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7371550
2-(4-ethoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 61215800
2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 43246304
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408
N-(1-ethylpiperidin-1-ium-4-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8690315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide (CID 9070922) is 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide is CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(N)=O)CC2)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is SNQJAMHRSHZQAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4O4S/c1-2-21-11-13-22(14-12-21)19(25)15-7-9-23(10-8-15)28(26,27)17-6-4-3-5-16(17)18(20)24/h3-6,15H,2,7-14H2,1H3,(H2,20,24)/p+1.
What are the key properties of 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide?
2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 409.53 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9070922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).