4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C18H23N5O — CID 45270771

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)NC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H23N5O/c1-22-12-19-21-17(22)14-7-9-23(10-8-14)18(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,20,24)
InChIKeyPMWSGFIJYUECNG-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.26
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45270771) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45270771
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)NC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H23N5O/c1-22-12-19-21-17(22)14-7-9-23(10-8-14)18(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,20,24)
InChIKeyPMWSGFIJYUECNG-UHFFFAOYSA-N
XLogP2.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45270771) is 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is Cn1cnnc1C1CCN(C(=O)NC2CC2c2ccccc2)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is PMWSGFIJYUECNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-12-19-21-17(22)14-7-9-23(10-8-14)18(24)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,20,24).
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45270771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).