N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide

C24H37N5O4S — CID 39969807

IUPACN,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C24H37N5O4S/c1-25(2)34(32,33)20-8-9-22(27-10-4-3-5-11-27)21(18-20)24(31)29-16-14-26(15-17-29)19-23(30)28-12-6-7-13-28/h8-9,18H,3-7,10-17,19H2,1-2H3
InChIKeyAKNOKWXCARWARR-UHFFFAOYSA-N
MW491.66 g/mol
LogP1.31
Rot. Bonds6

About N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide

N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide (PubChem CID 39969807) has the molecular formula C24H37N5O4S and a molecular weight of 491.66 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
PubChem CID39969807
Molecular FormulaC24H37N5O4S
Molecular Weight491.66 g/mol
Exact Mass491.26
IUPAC NameN,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C24H37N5O4S/c1-25(2)34(32,33)20-8-9-22(27-10-4-3-5-11-27)21(18-20)24(31)29-16-14-26(15-17-29)19-23(30)28-12-6-7-13-28/h8-9,18H,3-7,10-17,19H2,1-2H3
InChIKeyAKNOKWXCARWARR-UHFFFAOYSA-N
XLogP1.31
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55901778
3-(4-but-3-ynylpiperazine-1-carbonyl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 86875946
3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N,N-dimethyl-4-piperidin-1-ylbenzenesulfonamide
CID 55368190
3-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55905673
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
N,N-dimethyl-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55978794
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;hydrochloride
CID 120810322
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55564764
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849
2-[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31428060

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide (CID 39969807) is N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide?
The InChIKey is AKNOKWXCARWARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O4S/c1-25(2)34(32,33)20-8-9-22(27-10-4-3-5-11-27)21(18-20)24(31)29-16-14-26(15-17-29)19-23(30)28-12-6-7-13-28/h8-9,18H,3-7,10-17,19H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide?
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide has a molecular weight of 491.66 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 39969807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).