N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide

C40H42ClN3O5 — CID 58768096

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide (PubChem CID 58768096) has the molecular formula C40H42ClN3O5 and a molecular weight of 680.25 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide
• PubChem CID: 58768096
• Molecular Formula: C40H42ClN3O5
• Molecular Weight: 680.25 g/mol
• Exact Mass: 679.28
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc(C3CCCC3)ccc2o1
• InChI: InChI=1S/C40H42ClN3O5/c41-31-14-11-26(12-15-31)22-34(42-39(47)37-24-35(45)33-23-29(13-16-36(33)49-37)27-6-1-2-7-27)40(48)43-20-17-28(18-21-43)32-9-4-3-8-30(32)25-44-19-5-10-38(44)46/h3-4,8-9,11-16,23-24,27-28,34H,1-2,5-7,10,17-22,25H2,(H,42,47)/t34-/m1/s1
• InChIKey: ZYLMVEBJJPFNLZ-UUWRZZSWSA-N
• XLogP: 6.97
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.25
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide (CID 58768096) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2cc(C3CCCC3)ccc2o1.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

The InChIKey is ZYLMVEBJJPFNLZ-UUWRZZSWSA-N. The full InChI is InChI=1S/C40H42ClN3O5/c41-31-14-11-26(12-15-31)22-34(42-39(47)37-24-35(45)33-23-29(13-16-36(33)49-37)27-6-1-2-7-27)40(48)43-20-17-28(18-21-43)32-9-4-3-8-30(32)25-44-19-5-10-38(44)46/h3-4,8-9,11-16,23-24,27-28,34H,1-2,5-7,10,17-22,25H2,(H,42,47)/t34-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide has a molecular weight of 680.25 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58768096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).