N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide

C17H24FN3O2 — CID 175658431

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCOCC1)C1CNCCN1
InChIInChI=1S/C17H24FN3O2/c18-14-3-1-2-13(10-14)17(4-8-23-9-5-17)12-21-16(22)15-11-19-6-7-20-15/h1-3,10,15,19-20H,4-9,11-12H2,(H,21,22)
InChIKeyWSWYAMWUKAMCKR-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.55
Rot. Bonds4

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide (PubChem CID 175658431) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
PubChem CID175658431
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCOCC1)C1CNCCN1
InChIInChI=1S/C17H24FN3O2/c18-14-3-1-2-13(10-14)17(4-8-23-9-5-17)12-21-16(22)15-11-19-6-7-20-15/h1-3,10,15,19-20H,4-9,11-12H2,(H,21,22)
InChIKeyWSWYAMWUKAMCKR-UHFFFAOYSA-N
XLogP0.55
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 110482446
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
(4aR,6S,8aR)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 155503313
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
CID 56911914
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-(3-fluorophenyl)piperazine-2-carboxamide
CID 63103446

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide (CID 175658431) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide is O=C(NCC1(c2cccc(F)c2)CCOCC1)C1CNCCN1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide?
The InChIKey is WSWYAMWUKAMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-3-1-2-13(10-14)17(4-8-23-9-5-17)12-21-16(22)15-11-19-6-7-20-15/h1-3,10,15,19-20H,4-9,11-12H2,(H,21,22).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 175658431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).