4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide

C17H26FN3O3 — CID 124852030

IUPAC4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)CNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1
InChIInChI=1S/C17H26FN3O3/c1-13(12-23-2)11-19-17(22)21-8-6-20(7-9-21)14-4-5-15(18)16(10-14)24-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyUBZDIPCAUHXOIN-ZDUSSCGKSA-N
MW339.41 g/mol
LogP1.95
Rot. Bonds6

About 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide

4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide (PubChem CID 124852030) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide
PubChem CID124852030
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Name4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide
SMILESCOC[C@@H](C)CNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1
InChIInChI=1S/C17H26FN3O3/c1-13(12-23-2)11-19-17(22)21-8-6-20(7-9-21)14-4-5-15(18)16(10-14)24-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyUBZDIPCAUHXOIN-ZDUSSCGKSA-N
XLogP1.95
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide (CID 124852030) is 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide is COC[C@@H](C)CNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide?
The InChIKey is UBZDIPCAUHXOIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-13(12-23-2)11-19-17(22)21-8-6-20(7-9-21)14-4-5-15(18)16(10-14)24-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide?
4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 124852030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).