N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide

C16H25N3O3S — CID 131942617

IUPACN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)CCc2cccnc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-2-23(21,22)19-10-7-15(8-11-19)13-18-16(20)6-5-14-4-3-9-17-12-14/h3-4,9,12,15H,2,5-8,10-11,13H2,1H3,(H,18,20)
InChIKeyYQKOVNJJIIENIA-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.19
Rot. Bonds7

About N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide

N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 131942617) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID131942617
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)CCc2cccnc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-2-23(21,22)19-10-7-15(8-11-19)13-18-16(20)6-5-14-4-3-9-17-12-14/h3-4,9,12,15H,2,5-8,10-11,13H2,1H3,(H,18,20)
InChIKeyYQKOVNJJIIENIA-UHFFFAOYSA-N
XLogP1.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
N-[[1-[(5S)-3,5-dimethyl-4H-1,2-oxazole-5-carbonyl]piperidin-4-yl]methyl]-3-pyridin-3-ylpropanamide
CID 164639172
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
CID 18425754
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
CID 131890431

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide (CID 131942617) is N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide is CCS(=O)(=O)N1CCC(CNC(=O)CCc2cccnc2)CC1.
What is the InChIKey of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is YQKOVNJJIIENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-23(21,22)19-10-7-15(8-11-19)13-18-16(20)6-5-14-4-3-9-17-12-14/h3-4,9,12,15H,2,5-8,10-11,13H2,1H3,(H,18,20).
What are the key properties of N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide?
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 131942617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).