N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

C22H33N3O4 — CID 24790200

IUPACN-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C22H33N3O4/c1-23(12-17-29-20-6-3-2-4-7-20)22(27)19-8-9-21(26)25(18-19)11-5-10-24-13-15-28-16-14-24/h2-4,6-7,19H,5,8-18H2,1H3
InChIKeyPHNYUDIMQYLTIH-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.48
Rot. Bonds9

About N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 24790200) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID24790200
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C22H33N3O4/c1-23(12-17-29-20-6-3-2-4-7-20)22(27)19-8-9-21(26)25(18-19)11-5-10-24-13-15-28-16-14-24/h2-4,6-7,19H,5,8-18H2,1H3
InChIKeyPHNYUDIMQYLTIH-UHFFFAOYSA-N
XLogP1.48
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 24790200) is N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is CN(CCOc1ccccc1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is PHNYUDIMQYLTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-23(12-17-29-20-6-3-2-4-7-20)22(27)19-8-9-21(26)25(18-19)11-5-10-24-13-15-28-16-14-24/h2-4,6-7,19H,5,8-18H2,1H3.
What are the key properties of N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 1.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).