N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide

C17H23F2N3O2 — CID 175649779

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCCN(Cc2cc(F)cc(F)c2)C1)N1CCOCC1
InChIInChI=1S/C17H23F2N3O2/c18-14-8-13(9-15(19)10-14)11-21-3-1-2-16(12-21)20-17(23)22-4-6-24-7-5-22/h8-10,16H,1-7,11-12H2,(H,20,23)
InChIKeyAHDBOWLGTCPYHZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.97
Rot. Bonds3

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide (PubChem CID 175649779) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
PubChem CID175649779
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCCN(Cc2cc(F)cc(F)c2)C1)N1CCOCC1
InChIInChI=1S/C17H23F2N3O2/c18-14-8-13(9-15(19)10-14)11-21-3-1-2-16(12-21)20-17(23)22-4-6-24-7-5-22/h8-10,16H,1-7,11-12H2,(H,20,23)
InChIKeyAHDBOWLGTCPYHZ-UHFFFAOYSA-N
XLogP1.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 60543938
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-(1-benzylpiperidin-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119066540
N-cyclopent-3-en-1-ylmorpholine-4-carboxamide
CID 115695442
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide (CID 175649779) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide is O=C(NC1CCCN(Cc2cc(F)cc(F)c2)C1)N1CCOCC1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
The InChIKey is AHDBOWLGTCPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c18-14-8-13(9-15(19)10-14)11-21-3-1-2-16(12-21)20-17(23)22-4-6-24-7-5-22/h8-10,16H,1-7,11-12H2,(H,20,23).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 175649779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).