methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one

C62H87N7O8 — CID 159025527

About methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one

methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one (PubChem CID 159025527) has the molecular formula C62H87N7O8 and a molecular weight of 1058.42 g/mol. Its IUPAC name is methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one.

Molecular Properties

• Compound Name: methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
• PubChem CID: 159025527
• Molecular Formula: C62H87N7O8
• Molecular Weight: 1058.42 g/mol
• Exact Mass: 1057.66
• IUPAC Name: methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
• SMILES: COC(=O)CC1CCN(CCc2ccccc2N2CCCCC2=O)C1.O=C(CC1CCN(CCc2ccccc2N2CCCCC2=O)C1)N1CCCC1.O=C(O)CC1CCN(CCc2ccccc2N2CCCCC2=O)C1
• InChI: InChI=1S/C23H33N3O2.C20H28N2O3.C19H26N2O3/c27-22-9-3-4-14-26(22)21-8-2-1-7-20(21)11-16-24-15-10-19(18-24)17-23(28)25-12-5-6-13-25;1-25-20(24)14-16-9-12-21(15-16)13-10-17-6-2-3-7-18(17)22-11-5-4-8-19(22)23;22-18-7-3-4-10-21(18)17-6-2-1-5-16(17)9-12-20-11-8-15(14-20)13-19(23)24/h1-2,7-8,19H,3-6,9-18H2;2-3,6-7,16H,4-5,8-15H2,1H3;1-2,5-6,15H,3-4,7-14H2,(H,23,24)
• InChIKey: JUFSGVGXKSMJSF-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 154.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.42
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?

The IUPAC name of methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one (CID 159025527) is methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one.

What is the SMILES notation for methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?

The canonical SMILES for methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one is COC(=O)CC1CCN(CCc2ccccc2N2CCCCC2=O)C1.O=C(CC1CCN(CCc2ccccc2N2CCCCC2=O)C1)N1CCCC1.O=C(O)CC1CCN(CCc2ccccc2N2CCCCC2=O)C1.

What is the InChIKey of methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?

The InChIKey is JUFSGVGXKSMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2.C20H28N2O3.C19H26N2O3/c27-22-9-3-4-14-26(22)21-8-2-1-7-20(21)11-16-24-15-10-19(18-24)17-23(28)25-12-5-6-13-25;1-25-20(24)14-16-9-12-21(15-16)13-10-17-6-2-3-7-18(17)22-11-5-4-8-19(22)23;22-18-7-3-4-10-21(18)17-6-2-1-5-16(17)9-12-20-11-8-15(14-20)13-19(23)24/h1-2,7-8,19H,3-6,9-18H2;2-3,6-7,16H,4-5,8-15H2,1H3;1-2,5-6,15H,3-4,7-14H2,(H,23,24).

What are the key properties of methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?

methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one has a molecular weight of 1058.42 g/mol, XLogP of 8.25, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetate;2-[1-[2-[2-(2-oxopiperidin-1-yl)phenyl]ethyl]pyrrolidin-3-yl]acetic acid;1-[2-[2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one is sourced from PubChem (CID 159025527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).