N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide

C25H39N3O4S — CID 55662128

IUPACN,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C25H39N3O4S/c1-4-28(5-2)33(31,32)23-11-8-21(9-12-23)10-13-24(29)26-17-14-22(15-18-26)25(30)27-16-6-7-20(3)19-27/h8-9,11-12,20,22H,4-7,10,13-19H2,1-3H3
InChIKeyZFXNLFRIDRLPLX-UHFFFAOYSA-N
MW477.67 g/mol
LogP3.15
Rot. Bonds8

About N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide

N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55662128) has the molecular formula C25H39N3O4S and a molecular weight of 477.67 g/mol. Its IUPAC name is N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID55662128
Molecular FormulaC25H39N3O4S
Molecular Weight477.67 g/mol
Exact Mass477.27
IUPAC NameN,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C25H39N3O4S/c1-4-28(5-2)33(31,32)23-11-8-21(9-12-23)10-13-24(29)26-17-14-22(15-18-26)25(30)27-16-6-7-20(3)19-27/h8-9,11-12,20,22H,4-7,10,13-19H2,1-3H3
InChIKeyZFXNLFRIDRLPLX-UHFFFAOYSA-N
XLogP3.15
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819
N,N-diethyl-4-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119577479
(2S)-1-[3-[4-(diethylsulfamoyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119365115
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377138
N,N-diethyl-4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 119649553
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
CID 109061524
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 55662128) is N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is ZFXNLFRIDRLPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4S/c1-4-28(5-2)33(31,32)23-11-8-21(9-12-23)10-13-24(29)26-17-14-22(15-18-26)25(30)27-16-6-7-20(3)19-27/h8-9,11-12,20,22H,4-7,10,13-19H2,1-3H3.
What are the key properties of N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide?
N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 477.67 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55662128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).