1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C20H31N3O4S — CID 24980025

IUPAC1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-17-3-5-19(6-4-17)28(25,26)23-11-7-18(8-12-23)20(24)21-9-2-10-22-13-15-27-16-14-22/h3-6,18H,2,7-16H2,1H3,(H,21,24)
InChIKeyIICDYVFFPCHXMD-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.23
Rot. Bonds7

About 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 24980025) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID24980025
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-17-3-5-19(6-4-17)28(25,26)23-11-7-18(8-12-23)20(24)21-9-2-10-22-13-15-27-16-14-22/h3-6,18H,2,7-16H2,1H3,(H,21,24)
InChIKeyIICDYVFFPCHXMD-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
ethyl 1-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate
CID 5845050
Tert-butyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 56054771
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
CID 653436
16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 24980025) is 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is IICDYVFFPCHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-17-3-5-19(6-4-17)28(25,26)23-11-7-18(8-12-23)20(24)21-9-2-10-22-13-15-27-16-14-22/h3-6,18H,2,7-16H2,1H3,(H,21,24).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 24980025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).