4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide

C17H34N4O3S — CID 55627259

IUPAC4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-3-8-20(9-4-2)25(23,24)21-14-12-18(13-15-21)16-17(22)19-10-6-5-7-11-19/h3-16H2,1-2H3
InChIKeyABUBSFLJEDPBFL-UHFFFAOYSA-N
MW374.55 g/mol
LogP0.98
Rot. Bonds8

About 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide

4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide (PubChem CID 55627259) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide
PubChem CID55627259
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC Name4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-3-8-20(9-4-2)25(23,24)21-14-12-18(13-15-21)16-17(22)19-10-6-5-7-11-19/h3-16H2,1-2H3
InChIKeyABUBSFLJEDPBFL-UHFFFAOYSA-N
XLogP0.98
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide (CID 55627259) is 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide?
The InChIKey is ABUBSFLJEDPBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-3-8-20(9-4-2)25(23,24)21-14-12-18(13-15-21)16-17(22)19-10-6-5-7-11-19/h3-16H2,1-2H3.
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide?
4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide has a molecular weight of 374.55 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethyl)-N,N-dipropylpiperazine-1-sulfonamide is sourced from PubChem (CID 55627259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).