(14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene

C30H33F3N2O3 — CID 176792667

About (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene

(14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene (PubChem CID 176792667) has the molecular formula C30H33F3N2O3 and a molecular weight of 526.60 g/mol. Its IUPAC name is (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene.

Molecular Properties

• Compound Name: (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
• PubChem CID: 176792667
• Molecular Formula: C30H33F3N2O3
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.24
• IUPAC Name: (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
• SMILES: COc1ccc2c(c1N1CCC(C(F)(F)F)CC1)[C@@H](C1CCCC1)N1CCc3cc4c(cc3C1=C2)OCO4
• InChI: InChI=1S/C30H33F3N2O3/c1-36-24-7-6-20-14-23-22-16-26-25(37-17-38-26)15-19(22)8-13-35(23)28(18-4-2-3-5-18)27(20)29(24)34-11-9-21(10-12-34)30(31,32)33/h6-7,14-16,18,21,28H,2-5,8-13,17H2,1H3/t28-/m1/s1
• InChIKey: PWNMLIKBEQOFDY-MUUNZHRXSA-N
• XLogP: 6.80
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene?

The IUPAC name of (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene (CID 176792667) is (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene.

What is the SMILES notation for (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene?

The canonical SMILES for (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene is COc1ccc2c(c1N1CCC(C(F)(F)F)CC1)[C@@H](C1CCCC1)N1CCc3cc4c(cc3C1=C2)OCO4.

What is the InChIKey of (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene?

The InChIKey is PWNMLIKBEQOFDY-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H33F3N2O3/c1-36-24-7-6-20-14-23-22-16-26-25(37-17-38-26)15-19(22)8-13-35(23)28(18-4-2-3-5-18)27(20)29(24)34-11-9-21(10-12-34)30(31,32)33/h6-7,14-16,18,21,28H,2-5,8-13,17H2,1H3/t28-/m1/s1.

What are the key properties of (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene?

(14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene has a molecular weight of 526.60 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (14R)-14-cyclopentyl-17-methoxy-16-[4-(trifluoromethyl)piperidin-1-yl]-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene is sourced from PubChem (CID 176792667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).