1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

C26H33N3O5S — CID 27890193

IUPAC1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C26H33N3O5S/c1-20(30)23-6-8-25(9-7-23)35(32,33)29-12-10-24(11-13-29)26(31)27-18-21-2-4-22(5-3-21)19-28-14-16-34-17-15-28/h2-9,24H,10-19H2,1H3,(H,27,31)
InChIKeyUHACMYHJAKOXJC-UHFFFAOYSA-N
MW499.63 g/mol
LogP2.44
Rot. Bonds8

About 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 27890193) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID27890193
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C26H33N3O5S/c1-20(30)23-6-8-25(9-7-23)35(32,33)29-12-10-24(11-13-29)26(31)27-18-21-2-4-22(5-3-21)19-28-14-16-34-17-15-28/h2-9,24H,10-19H2,1H3,(H,27,31)
InChIKeyUHACMYHJAKOXJC-UHFFFAOYSA-N
XLogP2.44
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
CID 9391433
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506
1-(4-ethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 113004556
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 27890193) is 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is UHACMYHJAKOXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-20(30)23-6-8-25(9-7-23)35(32,33)29-12-10-24(11-13-29)26(31)27-18-21-2-4-22(5-3-21)19-28-14-16-34-17-15-28/h2-9,24H,10-19H2,1H3,(H,27,31).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 27890193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).