N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide

C17H23N3O3 — CID 110696844

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3COCC(=O)N3)cc2)CC1
InChIInChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)14-4-2-13(3-5-14)18-17(22)15-10-23-11-16(21)19-15/h2-5,12,15H,6-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyRKNCLUHZUIHGJA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.38
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide (PubChem CID 110696844) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide
PubChem CID110696844
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3COCC(=O)N3)cc2)CC1
InChIInChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)14-4-2-13(3-5-14)18-17(22)15-10-23-11-16(21)19-15/h2-5,12,15H,6-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyRKNCLUHZUIHGJA-UHFFFAOYSA-N
XLogP1.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
CID 110696837
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696796
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
CID 110696803
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
2-(2,5-dioxoimidazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110698550

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide (CID 110696844) is N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide is CC1CCN(c2ccc(NC(=O)C3COCC(=O)N3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is RKNCLUHZUIHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-6-8-20(9-7-12)14-4-2-13(3-5-14)18-17(22)15-10-23-11-16(21)19-15/h2-5,12,15H,6-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).