2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

C23H27N3O5 — CID 56528532

IUPAC2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESCn1cccc1C(=O)N1CCCCC1CCOC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C23H27N3O5/c1-24-13-6-9-19(24)22(28)25-14-5-4-7-17(25)12-16-30-21(27)11-15-26-18-8-2-3-10-20(18)31-23(26)29/h2-3,6,8-10,13,17H,4-5,7,11-12,14-16H2,1H3
InChIKeyVZDLFENARLQDSW-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.95
Rot. Bonds7

About 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (PubChem CID 56528532) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.

Molecular Properties

Compound Name2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
PubChem CID56528532
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
SMILESCn1cccc1C(=O)N1CCCCC1CCOC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C23H27N3O5/c1-24-13-6-9-19(24)22(28)25-14-5-4-7-17(25)12-16-30-21(27)11-15-26-18-8-2-3-10-20(18)31-23(26)29/h2-3,6,8-10,13,17H,4-5,7,11-12,14-16H2,1H3
InChIKeyVZDLFENARLQDSW-UHFFFAOYSA-N
XLogP2.95
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate (CID 56528532) is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate.
What is the SMILES notation for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The canonical SMILES for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is Cn1cccc1C(=O)N1CCCCC1CCOC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
The InChIKey is VZDLFENARLQDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-24-13-6-9-19(24)22(28)25-14-5-4-7-17(25)12-16-30-21(27)11-15-26-18-8-2-3-10-20(18)31-23(26)29/h2-3,6,8-10,13,17H,4-5,7,11-12,14-16H2,1H3.
What are the key properties of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate?
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate has a molecular weight of 425.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate is sourced from PubChem (CID 56528532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).