N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

C13H22Cl2N4O3S — CID 119389033

IUPACN-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCNS(=O)(=O)c1cccnc1)NC1CCNCC1
InChIInChI=1S/C13H20N4O3S.2ClH/c18-13(17-11-3-7-14-8-4-11)5-9-16-21(19,20)12-2-1-6-15-10-12;;/h1-2,6,10-11,14,16H,3-5,7-9H2,(H,17,18);2*1H
InChIKeyCODSLEZOVIHTBW-UHFFFAOYSA-N
MW385.32 g/mol
LogP0.46
Rot. Bonds6

About N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride

N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (PubChem CID 119389033) has the molecular formula C13H22Cl2N4O3S and a molecular weight of 385.32 g/mol. Its IUPAC name is N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
PubChem CID119389033
Molecular FormulaC13H22Cl2N4O3S
Molecular Weight385.32 g/mol
Exact Mass384.08
IUPAC NameN-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCNS(=O)(=O)c1cccnc1)NC1CCNCC1
InChIInChI=1S/C13H20N4O3S.2ClH/c18-13(17-11-3-7-14-8-4-11)5-9-16-21(19,20)12-2-1-6-15-10-12;;/h1-2,6,10-11,14,16H,3-5,7-9H2,(H,17,18);2*1H
InChIKeyCODSLEZOVIHTBW-UHFFFAOYSA-N
XLogP0.46
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119443531
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 94078717
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The IUPAC name of N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride (CID 119389033) is N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The canonical SMILES for N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is Cl.Cl.O=C(CCNS(=O)(=O)c1cccnc1)NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
The InChIKey is CODSLEZOVIHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S.2ClH/c18-13(17-11-3-7-14-8-4-11)5-9-16-21(19,20)12-2-1-6-15-10-12;;/h1-2,6,10-11,14,16H,3-5,7-9H2,(H,17,18);2*1H.
What are the key properties of N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride?
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride has a molecular weight of 385.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119389033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).