methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate

C23H30N4O3 — CID 24790678

IUPACmethyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H30N4O3/c1-30-23(29)19-8-6-17(7-9-19)16-26-14-11-20(12-15-26)27-21(10-13-24-27)25-22(28)18-4-2-3-5-18/h6-10,13,18,20H,2-5,11-12,14-16H2,1H3,(H,25,28)
InChIKeySDJSMQPEMBPLNZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.64
Rot. Bonds6

About methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate

methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate (PubChem CID 24790678) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate
PubChem CID24790678
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Namemethyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H30N4O3/c1-30-23(29)19-8-6-17(7-9-19)16-26-14-11-20(12-15-26)27-21(10-13-24-27)25-22(28)18-4-2-3-5-18/h6-10,13,18,20H,2-5,11-12,14-16H2,1H3,(H,25,28)
InChIKeySDJSMQPEMBPLNZ-UHFFFAOYSA-N
XLogP3.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate (CID 24790678) is methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate?
The InChIKey is SDJSMQPEMBPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-30-23(29)19-8-6-17(7-9-19)16-26-14-11-20(12-15-26)27-21(10-13-24-27)25-22(28)18-4-2-3-5-18/h6-10,13,18,20H,2-5,11-12,14-16H2,1H3,(H,25,28).
What are the key properties of methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate?
methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate has a molecular weight of 410.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 24790678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).