N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide

C34H33ClN4O5 — CID 89346320

About N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 89346320) has the molecular formula C34H33ClN4O5 and a molecular weight of 613.11 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide
• PubChem CID: 89346320
• Molecular Formula: C34H33ClN4O5
• Molecular Weight: 613.11 g/mol
• Exact Mass: 612.21
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide
• SMILES: CN(C(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc(=O)c3ccccc3o2)CC1)C1CC1
• InChI: InChI=1S/C34H33ClN4O5/c1-37(24-14-15-24)33(42)25-6-2-4-8-28(25)38-16-18-39(19-17-38)34(43)27(20-22-10-12-23(35)13-11-22)36-32(41)31-21-29(40)26-7-3-5-9-30(26)44-31/h2-13,21,24,27H,14-20H2,1H3,(H,36,41)/t27-/m1/s1
• InChIKey: AJNNBLKLWLBQGC-HHHXNRCGSA-N
• XLogP: 4.37
• TPSA: 103.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.11
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide (CID 89346320) is N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide is CN(C(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2cc(=O)c3ccccc3o2)CC1)C1CC1.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

The InChIKey is AJNNBLKLWLBQGC-HHHXNRCGSA-N. The full InChI is InChI=1S/C34H33ClN4O5/c1-37(24-14-15-24)33(42)25-6-2-4-8-28(25)38-16-18-39(19-17-38)34(43)27(20-22-10-12-23(35)13-11-22)36-32(41)31-21-29(40)26-7-3-5-9-30(26)44-31/h2-13,21,24,27H,14-20H2,1H3,(H,36,41)/t27-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 613.11 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropyl(methyl)carbamoyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 89346320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).