N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C17H25N3O4S — CID 3245094

IUPACN-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N3O4S/c21-17(18-14-15-4-2-1-3-5-15)16-6-8-19(9-7-16)25(22,23)20-10-12-24-13-11-20/h1-5,16H,6-14H2,(H,18,21)
InChIKeyJMRIPTBITXGCHX-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.59
Rot. Bonds5

About N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3245094) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3245094
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N3O4S/c21-17(18-14-15-4-2-1-3-5-15)16-6-8-19(9-7-16)25(22,23)20-10-12-24-13-11-20/h1-5,16H,6-14H2,(H,18,21)
InChIKeyJMRIPTBITXGCHX-UHFFFAOYSA-N
XLogP0.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylbenzyl)-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238307
N-{2-[methyl(2-phenylethyl)amino]ethyl}-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3239047
1-[(diethylamino)sulfonyl]-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3240785
1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
CID 3242107
1-{[butyl(ethyl)amino]sulfonyl}-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3244656
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3244782
N-(4-fluorobenzyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3448158
1-[(3,5-Dimethylpiperidino)sulfonyl]-N-(4-ethylbenzyl)-4-piperidinecarboxamide
CID 3630366
N-(4-Ethylbenzyl)-1-[(4-methylpiperidino)sulfonyl]-4-piperidinecarboxamide
CID 3689586
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3707508
1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 4064384
N~4~-(2-Chlorobenzyl)-1-(morpholinosulfonyl)-4-piperidinecarboxamide
CID 4064508

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3245094) is N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JMRIPTBITXGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(18-14-15-4-2-1-3-5-15)16-6-8-19(9-7-16)25(22,23)20-10-12-24-13-11-20/h1-5,16H,6-14H2,(H,18,21).
What are the key properties of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).