N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide

C19H25N3O3S — CID 70710070

IUPACN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1
InChIInChI=1S/C19H25N3O3S/c1-26(23,24)21-17-9-12-22(13-10-17)14-16-5-7-19(8-6-16)25-15-18-4-2-3-11-20-18/h2-8,11,17,21H,9-10,12-15H2,1H3
InChIKeyNBWRZJNZJINVAL-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.17
Rot. Bonds7

About N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide

N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 70710070) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide
PubChem CID70710070
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1
InChIInChI=1S/C19H25N3O3S/c1-26(23,24)21-17-9-12-22(13-10-17)14-16-5-7-19(8-6-16)25-15-18-4-2-3-11-20-18/h2-8,11,17,21H,9-10,12-15H2,1H3
InChIKeyNBWRZJNZJINVAL-UHFFFAOYSA-N
XLogP2.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
N-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 146672979
Methoxymethyloxathiatetraazatetracyclodocosahexaenedione
CID 146680869
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
(4-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2960264
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
Ethanesulfonic acid (3-benzyloxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521693
(2S)-2-[(S)-(2-ethoxyphenoxy)-(3-methyl-2-pyridinyl)methyl]morpholine
CID 44578969
(1)Benzoxepino(3,4-b)pyridine, 5,11-dihydro-5-(4-methyl-1-piperazinyl)-
CID 13469338
3-[(2S)-2-amino-4-phenylbutoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 23646970
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide
CID 4072948
(2S)-2-[(S)-(2-ethoxyphenoxy)-(5-ethyl-2-pyridinyl)methyl]morpholine
CID 44578970

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide (CID 70710070) is N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1.
What is the InChIKey of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is NBWRZJNZJINVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-26(23,24)21-17-9-12-22(13-10-17)14-16-5-7-19(8-6-16)25-15-18-4-2-3-11-20-18/h2-8,11,17,21H,9-10,12-15H2,1H3.
What are the key properties of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70710070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).