1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

C22H33N3O3 — CID 42958510

IUPAC1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2ccc(CN3CC(C)OC(C)C3)cc2)C1
InChIInChI=1S/C22H33N3O3/c1-16-12-24(13-17(2)28-16)14-20-8-6-19(7-9-20)11-23-22(27)21-5-4-10-25(15-21)18(3)26/h6-9,16-17,21H,4-5,10-15H2,1-3H3,(H,23,27)
InChIKeyLFHAPCSCADLNOZ-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.17
Rot. Bonds5

About 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide

1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 42958510) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID42958510
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCc2ccc(CN3CC(C)OC(C)C3)cc2)C1
InChIInChI=1S/C22H33N3O3/c1-16-12-24(13-17(2)28-16)14-20-8-6-19(7-9-20)11-23-22(27)21-5-4-10-25(15-21)18(3)26/h6-9,16-17,21H,4-5,10-15H2,1-3H3,(H,23,27)
InChIKeyLFHAPCSCADLNOZ-UHFFFAOYSA-N
XLogP2.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 42958510) is 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCc2ccc(CN3CC(C)OC(C)C3)cc2)C1.
What is the InChIKey of 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is LFHAPCSCADLNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-12-24(13-17(2)28-16)14-20-8-6-19(7-9-20)11-23-22(27)21-5-4-10-25(15-21)18(3)26/h6-9,16-17,21H,4-5,10-15H2,1-3H3,(H,23,27).
What are the key properties of 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide?
1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42958510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).