3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

C22H29N3O3S — CID 44565260

IUPAC3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(C)c2)(c2ccccn2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-9-4-5-12-23-20)17-24-21(26)19-8-6-7-18(2)16-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26)
InChIKeyDPLOIAARNGYLMO-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.89
Rot. Bonds7

About 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 44565260) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID44565260
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(C)c2)(c2ccccn2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-9-4-5-12-23-20)17-24-21(26)19-8-6-7-18(2)16-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26)
InChIKeyDPLOIAARNGYLMO-UHFFFAOYSA-N
XLogP2.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44565261
N-[[4-(6-methoxy-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
CID 44565252
2-chloro-3,6-difluoro-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide;hydrochloride
CID 44564758
(2-chlorophenyl)methyl N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 57430060
2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
CID 143116417
2-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)propan-2-amine
CID 59003529
methyl 2-[4-[[(2,4-dichlorobenzoyl)amino]methyl]-4-pyridin-2-ylpiperidin-1-yl]sulfonylacetate
CID 57430076
N-[[1-ethylsulfonyl-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trifluorobenzamide
CID 59003504
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 55777397
1-(3-methylphenyl)-3-[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]propan-1-one
CID 58561681
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 44565260) is 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(C)c2)(c2ccccn2)CC1.
What is the InChIKey of 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is DPLOIAARNGYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-9-4-5-12-23-20)17-24-21(26)19-8-6-7-18(2)16-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 44565260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).