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

C32H43ClN6O4 — CID 69149080

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

(1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate (PubChem CID 69149080) has the molecular formula C32H43ClN6O4 and a molecular weight of 611.19 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate.

Molecular Properties

• Compound Name: (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate
• PubChem CID: 69149080
• Molecular Formula: C32H43ClN6O4
• Molecular Weight: 611.19 g/mol
• Exact Mass: 610.30
• IUPAC Name: (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate
• SMILES: CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cccnc4N(C)C)CC3C2)c2ccc(C)c(Cl)c2)CC1
• InChI: InChI=1S/C32H43ClN6O4/c1-22-8-9-26(17-29(22)33)39(32(42)43-27-10-15-37(16-11-27)23(2)40)14-6-13-36-18-24-20-38(21-25(24)19-36)31(41)28-7-5-12-34-30(28)35(3)4/h5,7-9,12,17,24-25,27H,6,10-11,13-16,18-21H2,1-4H3
• InChIKey: FPNFVTRUZRIASR-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 89.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.19
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate (CID 69149080) is (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate.

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

The canonical SMILES for (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate is CC(=O)N1CCC(OC(=O)N(CCCN2CC3CN(C(=O)c4cccnc4N(C)C)CC3C2)c2ccc(C)c(Cl)c2)CC1.

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

The InChIKey is FPNFVTRUZRIASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43ClN6O4/c1-22-8-9-26(17-29(22)33)39(32(42)43-27-10-15-37(16-11-27)23(2)40)14-6-13-36-18-24-20-38(21-25(24)19-36)31(41)28-7-5-12-34-30(28)35(3)4/h5,7-9,12,17,24-25,27H,6,10-11,13-16,18-21H2,1-4H3.

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

(1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate has a molecular weight of 611.19 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-acetylpiperidin-4-yl) N-(3-chloro-4-methylphenyl)-N-[3-[5-[2-(dimethylamino)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]carbamate is sourced from PubChem (CID 69149080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).