N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

C16H28Cl2N4O4S — CID 120891925

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCOCC1(CNC(=O)CCNS(=O)(=O)c2cccnc2)CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N4O4S.2ClH/c1-24-13-16(5-9-17-10-6-16)12-19-15(21)4-8-20-25(22,23)14-3-2-7-18-11-14;;/h2-3,7,11,17,20H,4-6,8-10,12-13H2,1H3,(H,19,21);2*1H
InChIKeyKBYOXROFYIGZMW-UHFFFAOYSA-N
MW443.40 g/mol
LogP0.73
Rot. Bonds9

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (PubChem CID 120891925) has the molecular formula C16H28Cl2N4O4S and a molecular weight of 443.40 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
PubChem CID120891925
Molecular FormulaC16H28Cl2N4O4S
Molecular Weight443.40 g/mol
Exact Mass442.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCOCC1(CNC(=O)CCNS(=O)(=O)c2cccnc2)CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N4O4S.2ClH/c1-24-13-16(5-9-17-10-6-16)12-19-15(21)4-8-20-25(22,23)14-3-2-7-18-11-14;;/h2-3,7,11,17,20H,4-6,8-10,12-13H2,1H3,(H,19,21);2*1H
InChIKeyKBYOXROFYIGZMW-UHFFFAOYSA-N
XLogP0.73
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120888886
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 120890633
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
CID 120896266
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120888366
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119443531
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 120890345

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (CID 120891925) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is COCC1(CNC(=O)CCNS(=O)(=O)c2cccnc2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The InChIKey is KBYOXROFYIGZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S.2ClH/c1-24-13-16(5-9-17-10-6-16)12-19-15(21)4-8-20-25(22,23)14-3-2-7-18-11-14;;/h2-3,7,11,17,20H,4-6,8-10,12-13H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride has a molecular weight of 443.40 g/mol, XLogP of 0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is sourced from PubChem (CID 120891925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).