N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide

C16H22ClN3O2S — CID 157172605

IUPACN-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O
InChIInChI=1S/C16H22ClN3O2S/c1-19(23(2,21)22)11-12-4-7-20(8-5-12)16-10-13(17)9-15-14(16)3-6-18-15/h3,6,9-10,12,18H,4-5,7-8,11H2,1-2H3
InChIKeyPEPOZHDAVYQAIN-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.93
Rot. Bonds4

About N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide

N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 157172605) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
PubChem CID157172605
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O
InChIInChI=1S/C16H22ClN3O2S/c1-19(23(2,21)22)11-12-4-7-20(8-5-12)16-10-13(17)9-15-14(16)3-6-18-15/h3,6,9-10,12,18H,4-5,7-8,11H2,1-2H3
InChIKeyPEPOZHDAVYQAIN-UHFFFAOYSA-N
XLogP2.93
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide (CID 157172605) is N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide is CN(CC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1)S(C)(=O)=O.
What is the InChIKey of N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is PEPOZHDAVYQAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-19(23(2,21)22)11-12-4-7-20(8-5-12)16-10-13(17)9-15-14(16)3-6-18-15/h3,6,9-10,12,18H,4-5,7-8,11H2,1-2H3.
What are the key properties of N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide?
N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 355.89 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157172605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).