2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide

C24H29FN2O3 — CID 124950616

IUPAC2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C24H29FN2O3/c1-2-21(18-6-4-3-5-7-18)23(29)27-14-12-24(13-15-27,16-22(26)28)17-30-20-10-8-19(25)9-11-20/h3-11,21H,2,12-17H2,1H3,(H2,26,28)/t21-/m0/s1
InChIKeyDCYFARVPJBBUGW-NRFANRHFSA-N
MW412.51 g/mol
LogP3.88
Rot. Bonds8

About 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide

2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide (PubChem CID 124950616) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
PubChem CID124950616
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C24H29FN2O3/c1-2-21(18-6-4-3-5-7-18)23(29)27-14-12-24(13-15-27,16-22(26)28)17-30-20-10-8-19(25)9-11-20/h3-11,21H,2,12-17H2,1H3,(H2,26,28)/t21-/m0/s1
InChIKeyDCYFARVPJBBUGW-NRFANRHFSA-N
XLogP3.88
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide (CID 124950616) is 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide is CC[C@H](C(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
The InChIKey is DCYFARVPJBBUGW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-2-21(18-6-4-3-5-7-18)23(29)27-14-12-24(13-15-27,16-22(26)28)17-30-20-10-8-19(25)9-11-20/h3-11,21H,2,12-17H2,1H3,(H2,26,28)/t21-/m0/s1.
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide?
2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124950616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).