1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide

C18H27N3O4S — CID 22552753

IUPAC1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C18H27N3O4S/c1-15(16-6-3-2-4-7-16)19-18(22)17-8-5-9-21(14-17)26(23,24)20-10-12-25-13-11-20/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,19,22)
InChIKeyQLUUPZREJICESJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.15
Rot. Bonds5

About 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide

1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 22552753) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID22552753
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C18H27N3O4S/c1-15(16-6-3-2-4-7-16)19-18(22)17-8-5-9-21(14-17)26(23,24)20-10-12-25-13-11-20/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,19,22)
InChIKeyQLUUPZREJICESJ-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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
N-benzyl-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3245094
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
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
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide
CID 22552795
US11077113, Example 12
CID 162533422
US11179399, Example 13
CID 163200003
US11179399, Example 13_1
CID 163200004
US11179399, Example 13_2
CID 163200005

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide (CID 22552753) is 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1)c1ccccc1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is QLUUPZREJICESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-15(16-6-3-2-4-7-16)19-18(22)17-8-5-9-21(14-17)26(23,24)20-10-12-25-13-11-20/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,19,22).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 22552753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).