(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide

C17H24FN3O2 — CID 125009047

IUPAC(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)21-8-7-19-16(12-21)17(22)20-11-13-5-9-23-10-6-13/h1-4,13,16,19H,5-12H2,(H,20,22)/t16-/m1/s1
InChIKeyUZNBWIDUTQELST-MRXNPFEDSA-N
MW321.40 g/mol
LogP1.15
Rot. Bonds4

About (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide

(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 125009047) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
PubChem CID125009047
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)21-8-7-19-16(12-21)17(22)20-11-13-5-9-23-10-6-13/h1-4,13,16,19H,5-12H2,(H,20,22)/t16-/m1/s1
InChIKeyUZNBWIDUTQELST-MRXNPFEDSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide (CID 125009047) is (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide is O=C(NCC1CCOCC1)[C@H]1CN(c2ccc(F)cc2)CCN1.
What is the InChIKey of (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is UZNBWIDUTQELST-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-1-3-15(4-2-14)21-8-7-19-16(12-21)17(22)20-11-13-5-9-23-10-6-13/h1-4,13,16,19H,5-12H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide?
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 125009047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).