(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C34H35ClN4O2 — CID 59295761

About (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 59295761) has the molecular formula C34H35ClN4O2 and a molecular weight of 567.13 g/mol. Its IUPAC name is (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• PubChem CID: 59295761
• Molecular Formula: C34H35ClN4O2
• Molecular Weight: 567.13 g/mol
• Exact Mass: 566.24
• IUPAC Name: (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN[C@H](Cc2ccc3ccccc3c2)C1)[C@H]1Cc2ccccc2CN1
• InChI: InChI=1S/C34H35ClN4O2/c35-29-13-10-23(11-14-29)19-32(38-33(40)31-20-27-7-3-4-8-28(27)21-37-31)34(41)39-16-15-36-30(22-39)18-24-9-12-25-5-1-2-6-26(25)17-24/h1-14,17,30-32,36-37H,15-16,18-22H2,(H,38,40)/t30-,31-,32-/m1/s1
• InChIKey: KGVXFSIOABLOBV-XWHIBYANSA-N
• XLogP: 4.28
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.13
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

The IUPAC name of (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 59295761) is (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

The canonical SMILES for (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN[C@H](Cc2ccc3ccccc3c2)C1)[C@H]1Cc2ccccc2CN1.

What is the InChIKey of (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

The InChIKey is KGVXFSIOABLOBV-XWHIBYANSA-N. The full InChI is InChI=1S/C34H35ClN4O2/c35-29-13-10-23(11-14-29)19-32(38-33(40)31-20-27-7-3-4-8-28(27)21-37-31)34(41)39-16-15-36-30(22-39)18-24-9-12-25-5-1-2-6-26(25)17-24/h1-14,17,30-32,36-37H,15-16,18-22H2,(H,38,40)/t30-,31-,32-/m1/s1.

What are the key properties of (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?

(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 567.13 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 59295761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).