N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide

C21H28N2O3S — CID 16887837

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O3S/c1-26-21-9-7-20(8-10-21)17-27(24,25)22-15-18-11-13-23(14-12-18)16-19-5-3-2-4-6-19/h2-10,18,22H,11-17H2,1H3
InChIKeySNNSZYUSILFRRV-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.03
Rot. Bonds8

About N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide (PubChem CID 16887837) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
PubChem CID16887837
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O3S/c1-26-21-9-7-20(8-10-21)17-27(24,25)22-15-18-11-13-23(14-12-18)16-19-5-3-2-4-6-19/h2-10,18,22H,11-17H2,1H3
InChIKeySNNSZYUSILFRRV-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 16888085
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide (CID 16887837) is N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide is COc1ccc(CS(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is SNNSZYUSILFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-26-21-9-7-20(8-10-21)17-27(24,25)22-15-18-11-13-23(14-12-18)16-19-5-3-2-4-6-19/h2-10,18,22H,11-17H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 16887837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).