(3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C34H41Cl2N5O2 — CID 162340354

About (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

(3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 162340354) has the molecular formula C34H41Cl2N5O2 and a molecular weight of 622.64 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
• PubChem CID: 162340354
• Molecular Formula: C34H41Cl2N5O2
• Molecular Weight: 622.64 g/mol
• Exact Mass: 621.26
• IUPAC Name: (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
• SMILES: Cl.O=C(N[C@H](Cc1ccc(Cl)cc1)CN1CCN(c2ccccc2CN2CCCC2=O)CC1)[C@H]1Cc2ccccc2CN1
• InChI: InChI=1S/C34H40ClN5O2.ClH/c35-29-13-11-25(12-14-29)20-30(37-34(42)31-21-26-6-1-2-7-27(26)22-36-31)24-38-16-18-39(19-17-38)32-9-4-3-8-28(32)23-40-15-5-10-33(40)41;/h1-4,6-9,11-14,30-31,36H,5,10,15-24H2,(H,37,42);1H/t30-,31-;/m1./s1
• InChIKey: CPWSFSNWYNVETE-XBPPRYKJSA-N
• XLogP: 4.45
• TPSA: 67.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.64
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?

The IUPAC name of (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 162340354) is (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

What is the SMILES notation for (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?

The canonical SMILES for (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.O=C(N[C@H](Cc1ccc(Cl)cc1)CN1CCN(c2ccccc2CN2CCCC2=O)CC1)[C@H]1Cc2ccccc2CN1.

What is the InChIKey of (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?

The InChIKey is CPWSFSNWYNVETE-XBPPRYKJSA-N. The full InChI is InChI=1S/C34H40ClN5O2.ClH/c35-29-13-11-25(12-14-29)20-30(37-34(42)31-21-26-6-1-2-7-27(26)22-36-31)24-38-16-18-39(19-17-38)32-9-4-3-8-28(32)23-40-15-5-10-33(40)41;/h1-4,6-9,11-14,30-31,36H,5,10,15-24H2,(H,37,42);1H/t30-,31-;/m1./s1.

What are the key properties of (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?

(3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 622.64 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2R)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 162340354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).