N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C20H28FN3O3 — CID 24791214

IUPACN-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C20H28FN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26)
InChIKeyFSMOUNUJUJQJCP-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.40
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24791214) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24791214
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C20H28FN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26)
InChIKeyFSMOUNUJUJQJCP-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24791214) is N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is FSMOUNUJUJQJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).