ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate

C20H30N2O4 — CID 66851471

IUPACethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCC2CCN(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O4/c1-4-25-19(23)17-5-7-18(8-6-17)26-14-11-16-9-12-22(13-10-16)20(24)21-15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyPNXZSNBUCIFJAK-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.46
Rot. Bonds7

About ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate

ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate (PubChem CID 66851471) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate
PubChem CID66851471
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nameethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCC2CCN(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O4/c1-4-25-19(23)17-5-7-18(8-6-17)26-14-11-16-9-12-22(13-10-16)20(24)21-15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyPNXZSNBUCIFJAK-UHFFFAOYSA-N
XLogP3.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate (CID 66851471) is ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate is CCOC(=O)c1ccc(OCCC2CCN(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate?
The InChIKey is PNXZSNBUCIFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-25-19(23)17-5-7-18(8-6-17)26-14-11-16-9-12-22(13-10-16)20(24)21-15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate?
ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate has a molecular weight of 362.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate is sourced from PubChem (CID 66851471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).