[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C20H26N4O2 — CID 53192138

IUPAC[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCOCCc1nc(C2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H26N4O2/c1-26-13-9-17-21-18(23-22-17)15-6-5-12-24(14-15)19(25)20(10-11-20)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,21,22,23)
InChIKeyOJTDIKCPXVAEKJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds6

About [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 53192138) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID53192138
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCOCCc1nc(C2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H26N4O2/c1-26-13-9-17-21-18(23-22-17)15-6-5-12-24(14-15)19(25)20(10-11-20)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,21,22,23)
InChIKeyOJTDIKCPXVAEKJ-UHFFFAOYSA-N
XLogP2.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 53192138) is [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone is COCCc1nc(C2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n[nH]1.
What is the InChIKey of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is OJTDIKCPXVAEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-13-9-17-21-18(23-22-17)15-6-5-12-24(14-15)19(25)20(10-11-20)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,21,22,23).
What are the key properties of [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 53192138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).