N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide

C20H29N3O4S — CID 3971017

IUPACN,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)CC1
InChIInChI=1S/C20H29N3O4S/c1-3-22(4-2)20(25)16-9-11-23(12-10-16)28(26,27)18-7-5-15(6-8-18)17-13-19(24)21-14-17/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyZVDOBXMNWGTMPK-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.56
Rot. Bonds6

About N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide

N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 3971017) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID3971017
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)CC1
InChIInChI=1S/C20H29N3O4S/c1-3-22(4-2)20(25)16-9-11-23(12-10-16)28(26,27)18-7-5-15(6-8-18)17-13-19(24)21-14-17/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyZVDOBXMNWGTMPK-UHFFFAOYSA-N
XLogP1.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 3971017) is N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)CC1.
What is the InChIKey of N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZVDOBXMNWGTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-3-22(4-2)20(25)16-9-11-23(12-10-16)28(26,27)18-7-5-15(6-8-18)17-13-19(24)21-14-17/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24).
What are the key properties of N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3971017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).