N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide

C18H27N3O3S — CID 136576495

IUPACN-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
SMILESCC1CCCN(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O3S/c1-15-6-5-11-21(14-15)25(23,24)20-12-9-17(10-13-20)19-18(22)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,19,22)
InChIKeyOZZUKGLCDNXTCX-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide

N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 136576495) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
PubChem CID136576495
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
SMILESCC1CCCN(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O3S/c1-15-6-5-11-21(14-15)25(23,24)20-12-9-17(10-13-20)19-18(22)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,19,22)
InChIKeyOZZUKGLCDNXTCX-UHFFFAOYSA-N
XLogP1.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 42015638
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 129420688
(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide
CID 124728304
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide (CID 136576495) is N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide is CC1CCCN(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is OZZUKGLCDNXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-15-6-5-11-21(14-15)25(23,24)20-12-9-17(10-13-20)19-18(22)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,19,22).
What are the key properties of N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide?
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 365.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 136576495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).