[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone

C19H24N4O — CID 95271676

IUPAC[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
SMILESCCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-2-22-13-20-21-18(22)15-8-10-23(11-9-15)19(24)17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3/t16-,17-/m1/s1
InChIKeyBROCVFMPIFOQBX-IAGOWNOFSA-N
MW324.43 g/mol
LogP2.81
Rot. Bonds4

About [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone

[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone (PubChem CID 95271676) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
PubChem CID95271676
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
SMILESCCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-2-22-13-20-21-18(22)15-8-10-23(11-9-15)19(24)17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3/t16-,17-/m1/s1
InChIKeyBROCVFMPIFOQBX-IAGOWNOFSA-N
XLogP2.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-[(1R,2S)-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone (CID 95271676) is [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone is CCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
The InChIKey is BROCVFMPIFOQBX-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-22-13-20-21-18(22)15-8-10-23(11-9-15)19(24)17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 95271676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).