2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C24H29F2N3O2 — CID 30619438

IUPAC2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C24H29F2N3O2/c25-20-7-3-18(4-8-20)24(19-5-9-21(26)10-6-19)29-13-11-28(12-14-29)17-23(30)27-16-22-2-1-15-31-22/h3-10,22,24H,1-2,11-17H2,(H,27,30)/t22-/m0/s1
InChIKeyJLKOOQMDJMQAQR-QFIPXVFZSA-N
MW429.51 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 30619438) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID30619438
Molecular FormulaC24H29F2N3O2
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C24H29F2N3O2/c25-20-7-3-18(4-8-20)24(19-5-9-21(26)10-6-19)29-13-11-28(12-14-29)17-23(30)27-16-22-2-1-15-31-22/h3-10,22,24H,1-2,11-17H2,(H,27,30)/t22-/m0/s1
InChIKeyJLKOOQMDJMQAQR-QFIPXVFZSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 30619438) is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JLKOOQMDJMQAQR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c25-20-7-3-18(4-8-20)24(19-5-9-21(26)10-6-19)29-13-11-28(12-14-29)17-23(30)27-16-22-2-1-15-31-22/h3-10,22,24H,1-2,11-17H2,(H,27,30)/t22-/m0/s1.
What are the key properties of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 429.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 30619438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).