methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate

C19H24N4O2 — CID 59216135

IUPACmethyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C19H24N4O2/c1-22-17(19(10-11-19)15-6-4-3-5-7-15)20-21-18(22)23-12-8-14(9-13-23)16(24)25-2/h3-7,14H,8-13H2,1-2H3
InChIKeyDDOCIWLDHJDRFI-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.28
Rot. Bonds4

About methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate

methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate (PubChem CID 59216135) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate
PubChem CID59216135
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1
InChIInChI=1S/C19H24N4O2/c1-22-17(19(10-11-19)15-6-4-3-5-7-15)20-21-18(22)23-12-8-14(9-13-23)16(24)25-2/h3-7,14H,8-13H2,1-2H3
InChIKeyDDOCIWLDHJDRFI-UHFFFAOYSA-N
XLogP2.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate (CID 59216135) is methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.
What is the InChIKey of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate?
The InChIKey is DDOCIWLDHJDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-17(19(10-11-19)15-6-4-3-5-7-15)20-21-18(22)23-12-8-14(9-13-23)16(24)25-2/h3-7,14H,8-13H2,1-2H3.
What are the key properties of methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate?
methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 59216135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).