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

CID 3238307
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CID 3239047
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CID 3245094
CID 3245094
CID 3707508
CID 3707508
CID 4064384
CID 4064384
CID 4216040
CID 4216040
CID 20968300
CID 20968300
CID 22552795
CID 22552795
CID 162533422
CID 162533422
CID 163200003
CID 163200003
CID 163200004
CID 163200004
CID 163200005
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).