N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C21H29N3O3S — CID 24732334

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1ccc(CCN2CCC(N(Cc3cccnc3)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H29N3O3S/c1-27-21-7-5-18(6-8-21)9-13-23-14-10-20(11-15-23)24(28(2,25)26)17-19-4-3-12-22-16-19/h3-8,12,16,20H,9-11,13-15,17H2,1-2H3
InChIKeyORAUWAKHRGLDID-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.56
Rot. Bonds8

About N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 24732334) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID24732334
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCOc1ccc(CCN2CCC(N(Cc3cccnc3)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H29N3O3S/c1-27-21-7-5-18(6-8-21)9-13-23-14-10-20(11-15-23)24(28(2,25)26)17-19-4-3-12-22-16-19/h3-8,12,16,20H,9-11,13-15,17H2,1-2H3
InChIKeyORAUWAKHRGLDID-UHFFFAOYSA-N
XLogP2.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
N-[4-(4-Methoxy-phenyl)-1-pyridin-3-ylmethyl-piperidin-4-yl]-acetamide
CID 6487780
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
Ethanesulfonic acid (3-benzyloxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521693
Ethanesulfonic acid (3-phenoxymethyl-phenyl)-pyridin-3-ylmethyl-amide
CID 23521708
3-(4-Acetoxybenzylidene)anabaseine
CID 46702533
1,1,1-trifluoro-N-[3-(4-methoxyphenyl)pyridin-4-yl]methanesulfonamide
CID 137634324
US10689357, Example 26
CID 146249081

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 24732334) is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is COc1ccc(CCN2CCC(N(Cc3cccnc3)S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is ORAUWAKHRGLDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-27-21-7-5-18(6-8-21)9-13-23-14-10-20(11-15-23)24(28(2,25)26)17-19-4-3-12-22-16-19/h3-8,12,16,20H,9-11,13-15,17H2,1-2H3.
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 24732334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).