N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide

C24H30N4O4S — CID 2932204

IUPACN-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H30N4O4S/c1-19(29)25-21-9-11-23(12-10-21)33(31,32)28-13-5-6-20(18-28)24(30)27-16-14-26(15-17-27)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-18H2,1H3,(H,25,29)
InChIKeyLSNNEHQBBWBJBS-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.39
Rot. Bonds5

About N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2932204) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID2932204
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H30N4O4S/c1-19(29)25-21-9-11-23(12-10-21)33(31,32)28-13-5-6-20(18-28)24(30)27-16-14-26(15-17-27)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-18H2,1H3,(H,25,29)
InChIKeyLSNNEHQBBWBJBS-UHFFFAOYSA-N
XLogP2.39
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 2932204) is N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LSNNEHQBBWBJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-19(29)25-21-9-11-23(12-10-21)33(31,32)28-13-5-6-20(18-28)24(30)27-16-14-26(15-17-27)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-18H2,1H3,(H,25,29).
What are the key properties of N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 470.60 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2932204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).