methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate

C24H28N2O5 — CID 71266022

IUPACmethyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-30-23(28)15-18-7-9-20(10-8-18)21-11-13-26(14-12-21)22(27)16-25-24(29)31-17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,25,29)
InChIKeySXQUQCZABXOZDH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.03
Rot. Bonds7

About methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate

methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate (PubChem CID 71266022) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate
PubChem CID71266022
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namemethyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-30-23(28)15-18-7-9-20(10-8-18)21-11-13-26(14-12-21)22(27)16-25-24(29)31-17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,25,29)
InChIKeySXQUQCZABXOZDH-UHFFFAOYSA-N
XLogP3.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate (CID 71266022) is methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate is COC(=O)Cc1ccc(C2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate?
The InChIKey is SXQUQCZABXOZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-30-23(28)15-18-7-9-20(10-8-18)21-11-13-26(14-12-21)22(27)16-25-24(29)31-17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,25,29).
What are the key properties of methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate?
methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate is sourced from PubChem (CID 71266022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).