4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide

C18H26ClN3O4S — CID 48734491

IUPAC4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
SMILESCN(C1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H26ClN3O4S/c1-21(27(2,25)26)16-9-12-22(13-10-16)17(23)4-3-11-20-18(24)14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyVOQAGIIHLOKHFI-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.73
Rot. Bonds7

About 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide

4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide (PubChem CID 48734491) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
PubChem CID48734491
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC Name4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
SMILESCN(C1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O
InChIInChI=1S/C18H26ClN3O4S/c1-21(27(2,25)26)16-9-12-22(13-10-16)17(23)4-3-11-20-18(24)14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyVOQAGIIHLOKHFI-UHFFFAOYSA-N
XLogP1.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide
CID 120816986
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide
CID 119663213
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
4-chloro-N-[4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 25482268
N-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-4-chlorobenzamide
CID 120658394
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
4-chloro-N-[4-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55917634
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
4-chloro-N-[4-(2-methylpiperazin-1-yl)-4-oxobutyl]benzamide;hydrochloride
CID 119471862
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide (CID 48734491) is 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide is CN(C1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide?
The InChIKey is VOQAGIIHLOKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4S/c1-21(27(2,25)26)16-9-12-22(13-10-16)17(23)4-3-11-20-18(24)14-5-7-15(19)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24).
What are the key properties of 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide?
4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide has a molecular weight of 415.94 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide is sourced from PubChem (CID 48734491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).