N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

C22H33N3O3S — CID 55723617

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-19-7-5-6-14-24(19)17-13-23-22(26)21-10-15-25(16-11-21)29(27,28)18-12-20-8-3-2-4-9-20/h2-4,8-9,12,18-19,21H,5-7,10-11,13-17H2,1H3,(H,23,26)
InChIKeyJMTLIXMSUDIIBP-UHFFFAOYSA-N
MW419.59 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (PubChem CID 55723617) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
PubChem CID55723617
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C22H33N3O3S/c1-19-7-5-6-14-24(19)17-13-23-22(26)21-10-15-25(16-11-21)29(27,28)18-12-20-8-3-2-4-9-20/h2-4,8-9,12,18-19,21H,5-7,10-11,13-17H2,1H3,(H,23,26)
InChIKeyJMTLIXMSUDIIBP-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3294768
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55723283
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643
1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27168672
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27335639
N-[(2,3-difluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 146443143
N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-[3-(4-fluorophenyl)sulfanylpropyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27802420
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (CID 55723617) is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The InChIKey is JMTLIXMSUDIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-19-7-5-6-14-24(19)17-13-23-22(26)21-10-15-25(16-11-21)29(27,28)18-12-20-8-3-2-4-9-20/h2-4,8-9,12,18-19,21H,5-7,10-11,13-17H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55723617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).