1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C15H29N3O4S — CID 3451179

IUPAC1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-2-23(20,21)18-8-3-5-14(13-18)15(19)16-6-4-7-17-9-11-22-12-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyWPRISDOMGWJJCS-UHFFFAOYSA-N
MW347.48 g/mol
LogP-0.11
Rot. Bonds7

About 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 3451179) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID3451179
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-2-23(20,21)18-8-3-5-14(13-18)15(19)16-6-4-7-17-9-11-22-12-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyWPRISDOMGWJJCS-UHFFFAOYSA-N
XLogP-0.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 3451179) is 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCOCC2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is WPRISDOMGWJJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-2-23(20,21)18-8-3-5-14(13-18)15(19)16-6-4-7-17-9-11-22-12-10-17/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3451179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).