cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate

C28H37N5O4 — CID 178145463

About cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate

cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate (PubChem CID 178145463) has the molecular formula C28H37N5O4 and a molecular weight of 507.64 g/mol. Its IUPAC name is cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
• PubChem CID: 178145463
• Molecular Formula: C28H37N5O4
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.28
• IUPAC Name: cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
• SMILES: CC(=O)N1CC[C@@H](c2nc3c(n2C)C2(CCN(C(=O)OCC4CC4)CC2)Oc2cccnc2-3)CC1(C)C
• InChI: InChI=1S/C28H37N5O4/c1-18(34)33-13-9-20(16-27(33,2)3)25-30-23-22-21(6-5-12-29-22)37-28(24(23)31(25)4)10-14-32(15-11-28)26(35)36-17-19-7-8-19/h5-6,12,19-20H,7-11,13-17H2,1-4H3/t20-/m1/s1
• InChIKey: MAQPGJHEFLCCPJ-HXUWFJFHSA-N
• XLogP: 4.22
• TPSA: 89.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

The IUPAC name of cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate (CID 178145463) is cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

The canonical SMILES for cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate is CC(=O)N1CC[C@@H](c2nc3c(n2C)C2(CCN(C(=O)OCC4CC4)CC2)Oc2cccnc2-3)CC1(C)C.

What is the InChIKey of cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

The InChIKey is MAQPGJHEFLCCPJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H37N5O4/c1-18(34)33-13-9-20(16-27(33,2)3)25-30-23-22-21(6-5-12-29-22)37-28(24(23)31(25)4)10-14-32(15-11-28)26(35)36-17-19-7-8-19/h5-6,12,19-20H,7-11,13-17H2,1-4H3/t20-/m1/s1.

What are the key properties of cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate has a molecular weight of 507.64 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).