benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate

C24H29N5O3 — CID 123327093

About benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate

benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate (PubChem CID 123327093) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
• PubChem CID: 123327093
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate
• SMILES: O=C(OCc1ccccc1)N1CCC(C2CC2CCOc2ccc(-n3cn[nH]3)cn2)CC1
• InChI: InChI=1S/C24H29N5O3/c30-24(32-16-18-4-2-1-3-5-18)28-11-8-19(9-12-28)22-14-20(22)10-13-31-23-7-6-21(15-25-23)29-17-26-27-29/h1-7,15,17,19-20,22,27H,8-14,16H2
• InChIKey: ISYWFVVGPCGAKF-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 85.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?

The IUPAC name of benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate (CID 123327093) is benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate.

What is the SMILES notation for benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?

The canonical SMILES for benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C2CC2CCOc2ccc(-n3cn[nH]3)cn2)CC1.

What is the InChIKey of benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?

The InChIKey is ISYWFVVGPCGAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-24(32-16-18-4-2-1-3-5-18)28-11-8-19(9-12-28)22-14-20(22)10-13-31-23-7-6-21(15-25-23)29-17-26-27-29/h1-7,15,17,19-20,22,27H,8-14,16H2.

What are the key properties of benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate?

benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate has a molecular weight of 435.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[2-[2-[[5-(2H-triazet-1-yl)-2-pyridinyl]oxy]ethyl]cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 123327093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).