1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

C24H28FN3O3 — CID 45020582

IUPAC1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H28FN3O3/c25-21-7-3-1-5-19(21)17-27-11-9-18(10-12-27)23(29)26-22-8-4-2-6-20(22)24(30)28-13-15-31-16-14-28/h1-8,18H,9-17H2,(H,26,29)
InChIKeyBXFDKKKHDYAVLJ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.15
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 45020582) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID45020582
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C24H28FN3O3/c25-21-7-3-1-5-19(21)17-27-11-9-18(10-12-27)23(29)26-22-8-4-2-6-20(22)24(30)28-13-15-31-16-14-28/h1-8,18H,9-17H2,(H,26,29)
InChIKeyBXFDKKKHDYAVLJ-UHFFFAOYSA-N
XLogP3.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 100685326
1-[(3-bromophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 38097525
2-(2-fluorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35325829
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097501
(3R)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097496
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-[2-(azepane-1-carbonyl)phenyl]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 38099889
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide (CID 45020582) is 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BXFDKKKHDYAVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-21-7-3-1-5-19(21)17-27-11-9-18(10-12-27)23(29)26-22-8-4-2-6-20(22)24(30)28-13-15-31-16-14-28/h1-8,18H,9-17H2,(H,26,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45020582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).