[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

C20H26N4O2 — CID 53192530

IUPAC[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCCn1cnnc1C1CCN(C(=O)C2(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C20H26N4O2/c1-3-23-14-21-22-18(23)15-8-12-24(13-9-15)19(25)20(10-11-20)16-4-6-17(26-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyHVTCSGCSVPKXLC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.74
Rot. Bonds5

About [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 53192530) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID53192530
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCCn1cnnc1C1CCN(C(=O)C2(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C20H26N4O2/c1-3-23-14-21-22-18(23)15-8-12-24(13-9-15)19(25)20(10-11-20)16-4-6-17(26-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyHVTCSGCSVPKXLC-UHFFFAOYSA-N
XLogP2.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (CID 53192530) is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is CCn1cnnc1C1CCN(C(=O)C2(c3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is HVTCSGCSVPKXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-23-14-21-22-18(23)15-8-12-24(13-9-15)19(25)20(10-11-20)16-4-6-17(26-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3.
What are the key properties of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 53192530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).