(1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate

C32H40Cl2N4O4 — CID 69146714

About (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate

(1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate (PubChem CID 69146714) has the molecular formula C32H40Cl2N4O4 and a molecular weight of 615.60 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate.

Molecular Properties

• Compound Name: (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate
• PubChem CID: 69146714
• Molecular Formula: C32H40Cl2N4O4
• Molecular Weight: 615.60 g/mol
• Exact Mass: 614.24
• IUPAC Name: (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate
• SMILES: CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cc(Cl)ccc4C)CC3C2)c2ccc(C)c(Cl)c2)CC1
• InChI: InChI=1S/C32H40Cl2N4O4/c1-21-5-7-26(33)15-29(21)31(40)37-19-24-17-35(18-25(24)20-37)11-4-12-38(27-8-6-22(2)30(34)16-27)32(41)42-28-9-13-36(14-10-28)23(3)39/h5-8,15-16,24-25,28H,4,9-14,17-20H2,1-3H3
• InChIKey: ZBKXFCKCTCMDKG-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 73.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.60
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate?

The IUPAC name of (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate (CID 69146714) is (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate.

What is the SMILES notation for (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate?

The canonical SMILES for (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate is CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cc(Cl)ccc4C)CC3C2)c2ccc(C)c(Cl)c2)CC1.

What is the InChIKey of (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate?

The InChIKey is ZBKXFCKCTCMDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40Cl2N4O4/c1-21-5-7-26(33)15-29(21)31(40)37-19-24-17-35(18-25(24)20-37)11-4-12-38(27-8-6-22(2)30(34)16-27)32(41)42-28-9-13-36(14-10-28)23(3)39/h5-8,15-16,24-25,28H,4,9-14,17-20H2,1-3H3.

What are the key properties of (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate?

(1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate has a molecular weight of 615.60 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-acetylpiperidin-4-yl) N-[3-[5-(5-chloro-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-N-(3-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 69146714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).