N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C14H27N3O5S — CID 22552772

IUPACN-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C14H27N3O5S/c1-21-9-3-5-15-14(18)13-4-2-6-17(12-13)23(19,20)16-7-10-22-11-8-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyVBIXLMAYXYMPNM-UHFFFAOYSA-N
MW349.45 g/mol
LogP-0.57
Rot. Bonds7

About N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552772) has the molecular formula C14H27N3O5S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552772
Molecular FormulaC14H27N3O5S
Molecular Weight349.45 g/mol
Exact Mass349.17
IUPAC NameN-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C14H27N3O5S/c1-21-9-3-5-15-14(18)13-4-2-6-17(12-13)23(19,20)16-7-10-22-11-8-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyVBIXLMAYXYMPNM-UHFFFAOYSA-N
XLogP-0.57
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 22552772) is N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is COCCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VBIXLMAYXYMPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O5S/c1-21-9-3-5-15-14(18)13-4-2-6-17(12-13)23(19,20)16-7-10-22-11-8-16/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 349.45 g/mol, XLogP of -0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).