1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

C18H27N3O4S — CID 4064384

IUPAC1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H27N3O4S/c22-18(19-9-6-16-4-2-1-3-5-16)17-7-10-20(11-8-17)26(23,24)21-12-14-25-15-13-21/h1-5,17H,6-15H2,(H,19,22)
InChIKeyVLGIKMMFVGKMDY-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.63
Rot. Bonds6

About 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 4064384) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID4064384
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H27N3O4S/c22-18(19-9-6-16-4-2-1-3-5-16)17-7-10-20(11-8-17)26(23,24)21-12-14-25-15-13-21/h1-5,17H,6-15H2,(H,19,22)
InChIKeyVLGIKMMFVGKMDY-UHFFFAOYSA-N
XLogP0.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 4064384) is 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is VLGIKMMFVGKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-18(19-9-6-16-4-2-1-3-5-16)17-7-10-20(11-8-17)26(23,24)21-12-14-25-15-13-21/h1-5,17H,6-15H2,(H,19,22).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-morpholin-4-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 0.63, 6 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-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4064384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).