N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide

C19H33N3O3S — CID 24732325

IUPACN-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1ccc(CCN2CCC(N(CCN(C)C)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H33N3O3S/c1-20(2)15-16-22(26(4,23)24)18-10-13-21(14-11-18)12-9-17-5-7-19(25-3)8-6-17/h5-8,18H,9-16H2,1-4H3
InChIKeyHVZKPMPMDXSFEK-UHFFFAOYSA-N
MW383.56 g/mol
LogP1.53
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide

N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 24732325) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
PubChem CID24732325
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCOc1ccc(CCN2CCC(N(CCN(C)C)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C19H33N3O3S/c1-20(2)15-16-22(26(4,23)24)18-10-13-21(14-11-18)12-9-17-5-7-19(25-3)8-6-17/h5-8,18H,9-16H2,1-4H3
InChIKeyHVZKPMPMDXSFEK-UHFFFAOYSA-N
XLogP1.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
3-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24732333
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 24730709
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide (CID 24732325) is N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide is COc1ccc(CCN2CCC(N(CCN(C)C)S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HVZKPMPMDXSFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-20(2)15-16-22(26(4,23)24)18-10-13-21(14-11-18)12-9-17-5-7-19(25-3)8-6-17/h5-8,18H,9-16H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide?
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 383.56 g/mol, XLogP of 1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 24732325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).