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

C19H29N3O4S — CID 24978692

IUPAC1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O4S/c23-19(20-9-4-10-21-13-15-26-16-14-21)17-7-11-22(12-8-17)27(24,25)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2,(H,20,23)
InChIKeyDRPRJARMCTZJSO-UHFFFAOYSA-N
MW395.53 g/mol
LogP0.93
Rot. Bonds7

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

1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 24978692) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID24978692
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29N3O4S/c23-19(20-9-4-10-21-13-15-26-16-14-21)17-7-11-22(12-8-17)27(24,25)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2,(H,20,23)
InChIKeyDRPRJARMCTZJSO-UHFFFAOYSA-N
XLogP0.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 50.93
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-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 24978692) is 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is DRPRJARMCTZJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c23-19(20-9-4-10-21-13-15-26-16-14-21)17-7-11-22(12-8-17)27(24,25)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2,(H,20,23).
What are the key properties of 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 24978692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).