(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

C21H24FN3O3 — CID 51687287

IUPAC(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O3/c1-28-19-7-3-2-6-18(19)24-21(27)25-12-4-5-16(14-25)20(26)23-13-15-8-10-17(22)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyUMKZGXMORQGZBD-INIZCTEOSA-N
MW385.44 g/mol
LogP3.39
Rot. Bonds5

About (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide

(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 51687287) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID51687287
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O3/c1-28-19-7-3-2-6-18(19)24-21(27)25-12-4-5-16(14-25)20(26)23-13-15-8-10-17(22)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyUMKZGXMORQGZBD-INIZCTEOSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 51687287) is (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1ccccc1NC(=O)N1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is UMKZGXMORQGZBD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-19-7-3-2-6-18(19)24-21(27)25-12-4-5-16(14-25)20(26)23-13-15-8-10-17(22)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide?
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51687287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).