N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C18H27N3O4S — CID 3238307

IUPACN-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-15-2-4-16(5-3-15)14-19-18(22)17-6-8-20(9-7-17)26(23,24)21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3,(H,19,22)
InChIKeyYOENGWJYEYXARI-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.90
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3238307) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3238307
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-15-2-4-16(5-3-15)14-19-18(22)17-6-8-20(9-7-17)26(23,24)21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3,(H,19,22)
InChIKeyYOENGWJYEYXARI-UHFFFAOYSA-N
XLogP0.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-benzyl-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3245094
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
1-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 4216040
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 20968300

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3238307) is N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YOENGWJYEYXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-15-2-4-16(5-3-15)14-19-18(22)17-6-8-20(9-7-17)26(23,24)21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3,(H,19,22).
What are the key properties of N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3238307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).