1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C19H35N3O4 — CID 45252589

IUPAC1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C19H35N3O4/c1-16(2)26-12-3-7-20-19(24)17-5-6-18(23)22(15-17)9-4-8-21-10-13-25-14-11-21/h16-17H,3-15H2,1-2H3,(H,20,24)
InChIKeyIXNOQNSQFBCTIO-UHFFFAOYSA-N
MW369.51 g/mol
LogP0.88
Rot. Bonds10

About 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 45252589) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID45252589
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C19H35N3O4/c1-16(2)26-12-3-7-20-19(24)17-5-6-18(23)22(15-17)9-4-8-21-10-13-25-14-11-21/h16-17H,3-15H2,1-2H3,(H,20,24)
InChIKeyIXNOQNSQFBCTIO-UHFFFAOYSA-N
XLogP0.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 50.88
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-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 45252589) is 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)C1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is IXNOQNSQFBCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-16(2)26-12-3-7-20-19(24)17-5-6-18(23)22(15-17)9-4-8-21-10-13-25-14-11-21/h16-17H,3-15H2,1-2H3,(H,20,24).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45252589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).