N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide

C20H26N4O3S — CID 39895873

IUPACN-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O3S/c25-20(8-12-22-28(26,27)19-7-4-11-21-15-19)23-18-9-13-24(14-10-18)16-17-5-2-1-3-6-17/h1-7,11,15,18,22H,8-10,12-14,16H2,(H,23,25)
InChIKeyWSJNIPUVDWYAMS-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.53
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide

N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 39895873) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID39895873
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O3S/c25-20(8-12-22-28(26,27)19-7-4-11-21-15-19)23-18-9-13-24(14-10-18)16-17-5-2-1-3-6-17/h1-7,11,15,18,22H,8-10,12-14,16H2,(H,23,25)
InChIKeyWSJNIPUVDWYAMS-UHFFFAOYSA-N
XLogP1.53
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-(1-benzylpyrrolidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55378305
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94694763
N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
CID 136519757
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide (CID 39895873) is N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccnc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is WSJNIPUVDWYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c25-20(8-12-22-28(26,27)19-7-4-11-21-15-19)23-18-9-13-24(14-10-18)16-17-5-2-1-3-6-17/h1-7,11,15,18,22H,8-10,12-14,16H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 402.52 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 39895873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).