4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C17H24FN3O2 — CID 71783434

IUPAC4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24FN3O2/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23)
InChIKeyMNGFGYXFSCZBMY-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.42
Rot. Bonds5

About 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 71783434) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID71783434
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24FN3O2/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23)
InChIKeyMNGFGYXFSCZBMY-UHFFFAOYSA-N
XLogP1.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 71783434) is 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is MNGFGYXFSCZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23).
What are the key properties of 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-2-hydroxyethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 71783434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).