1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

C27H35N3O3S — CID 27168672

IUPAC1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C27H35N3O3S/c31-27(28-21-24-9-11-25(12-10-24)22-29-16-5-2-6-17-29)26-13-18-30(19-14-26)34(32,33)20-15-23-7-3-1-4-8-23/h1,3-4,7-12,15,20,26H,2,5-6,13-14,16-19,21-22H2,(H,28,31)/b20-15+
InChIKeyQALNFLJHRXVSSC-HMMYKYKNSA-N
MW481.66 g/mol
LogP4.00
Rot. Bonds8

About 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 27168672) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID27168672
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC Name1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C27H35N3O3S/c31-27(28-21-24-9-11-25(12-10-24)22-29-16-5-2-6-17-29)26-13-18-30(19-14-26)34(32,33)20-15-23-7-3-1-4-8-23/h1,3-4,7-12,15,20,26H,2,5-6,13-14,16-19,21-22H2,(H,28,31)/b20-15+
InChIKeyQALNFLJHRXVSSC-HMMYKYKNSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

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
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
N-[[4-(butanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55781450
(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8544564
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-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 41498688
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 32970234
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 55723617
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 38543627

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 27168672) is 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is QALNFLJHRXVSSC-HMMYKYKNSA-N. The full InChI is InChI=1S/C27H35N3O3S/c31-27(28-21-24-9-11-25(12-10-24)22-29-16-5-2-6-17-29)26-13-18-30(19-14-26)34(32,33)20-15-23-7-3-1-4-8-23/h1,3-4,7-12,15,20,26H,2,5-6,13-14,16-19,21-22H2,(H,28,31)/b20-15+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 481.66 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 27168672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).