N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

C14H24Cl2N4O3S — CID 119463159

IUPACN-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCNS(=O)(=O)c1cccnc1)NCC1CCCNC1
InChIInChI=1S/C14H22N4O3S.2ClH/c19-14(17-10-12-3-1-6-15-9-12)5-8-18-22(20,21)13-4-2-7-16-11-13;;/h2,4,7,11-12,15,18H,1,3,5-6,8-10H2,(H,17,19);2*1H
InChIKeyOANPJPMRZXLMJQ-UHFFFAOYSA-N
MW399.34 g/mol
LogP0.71
Rot. Bonds7

About N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (PubChem CID 119463159) has the molecular formula C14H24Cl2N4O3S and a molecular weight of 399.34 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
PubChem CID119463159
Molecular FormulaC14H24Cl2N4O3S
Molecular Weight399.34 g/mol
Exact Mass398.09
IUPAC NameN-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCNS(=O)(=O)c1cccnc1)NCC1CCCNC1
InChIInChI=1S/C14H22N4O3S.2ClH/c19-14(17-10-12-3-1-6-15-9-12)5-8-18-22(20,21)13-4-2-7-16-11-13;;/h2,4,7,11-12,15,18H,1,3,5-6,8-10H2,(H,17,19);2*1H
InChIKeyOANPJPMRZXLMJQ-UHFFFAOYSA-N
XLogP0.71
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
N-(piperidin-3-ylmethyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119461187
N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119443531
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119460803
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
N-(piperidin-3-ylmethyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
CID 119460334
N-(2-piperidin-3-ylethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119558546

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (CID 119463159) is N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is Cl.Cl.O=C(CCNS(=O)(=O)c1cccnc1)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The InChIKey is OANPJPMRZXLMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S.2ClH/c19-14(17-10-12-3-1-6-15-9-12)5-8-18-22(20,21)13-4-2-7-16-11-13;;/h2,4,7,11-12,15,18H,1,3,5-6,8-10H2,(H,17,19);2*1H.
What are the key properties of N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride has a molecular weight of 399.34 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119463159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).