1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide

C19H27N3O3 — CID 110743304

IUPAC1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(C3CN(C)CCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14(23)22-9-7-16(8-10-22)19(24)20-17-5-3-15(4-6-17)18-13-21(2)11-12-25-18/h3-6,16,18H,7-13H2,1-2H3,(H,20,24)
InChIKeyHJAFBQUPXLIXCS-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.89
Rot. Bonds3

About 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 110743304) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID110743304
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(C3CN(C)CCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14(23)22-9-7-16(8-10-22)19(24)20-17-5-3-15(4-6-17)18-13-21(2)11-12-25-18/h3-6,16,18H,7-13H2,1-2H3,(H,20,24)
InChIKeyHJAFBQUPXLIXCS-UHFFFAOYSA-N
XLogP1.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.89
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-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide (CID 110743304) is 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(C3CN(C)CCO3)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is HJAFBQUPXLIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)22-9-7-16(8-10-22)19(24)20-17-5-3-15(4-6-17)18-13-21(2)11-12-25-18/h3-6,16,18H,7-13H2,1-2H3,(H,20,24).
What are the key properties of 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(4-methylmorpholin-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 110743304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).