N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide

C20H26N2O3S — CID 70726913

IUPACN-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3S/c1-26(23,24)21-19-11-13-22(14-12-19)15-18-9-5-6-10-20(18)25-16-17-7-3-2-4-8-17/h2-10,19,21H,11-16H2,1H3
InChIKeyAQUGSCDVRJZIFZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.78
Rot. Bonds7

About N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide

N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 70726913) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID70726913
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3S/c1-26(23,24)21-19-11-13-22(14-12-19)15-18-9-5-6-10-20(18)25-16-17-7-3-2-4-8-17/h2-10,19,21H,11-16H2,1H3
InChIKeyAQUGSCDVRJZIFZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
2-[4-chloro-2-[[4-(methanesulfonamido)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 135107410
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
N-[(3R)-1-[(4-phenylmethoxyindazol-1-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 96509525
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
oxalic acid;3-[[4-[(2-phenylmethoxyphenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 22678751
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 77081003
3-[(4-benzylpiperidin-1-yl)methyl]-4-phenylmethoxybenzaldehyde
CID 22716807
2-[[4-(propylsulfonylamino)piperidin-1-yl]methyl]benzoic acid
CID 138003771

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide (CID 70726913) is N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is AQUGSCDVRJZIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-26(23,24)21-19-11-13-22(14-12-19)15-18-9-5-6-10-20(18)25-16-17-7-3-2-4-8-17/h2-10,19,21H,11-16H2,1H3.
What are the key properties of N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70726913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).