2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate

C14H25N5O2 — CID 86778919

IUPAC2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NCc2ncnn2C)CC1
InChIInChI=1S/C14H25N5O2/c1-11(2)9-21-14(20)19-6-4-12(5-7-19)15-8-13-16-10-17-18(13)3/h10-12,15H,4-9H2,1-3H3
InChIKeyIPBOZSZWOWTRCL-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.16
Rot. Bonds5

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

2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate (PubChem CID 86778919) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
PubChem CID86778919
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NCc2ncnn2C)CC1
InChIInChI=1S/C14H25N5O2/c1-11(2)9-21-14(20)19-6-4-12(5-7-19)15-8-13-16-10-17-18(13)3/h10-12,15H,4-9H2,1-3H3
InChIKeyIPBOZSZWOWTRCL-UHFFFAOYSA-N
XLogP1.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 86778928
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate (CID 86778919) is 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NCc2ncnn2C)CC1.
What is the InChIKey of 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is IPBOZSZWOWTRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)9-21-14(20)19-6-4-12(5-7-19)15-8-13-16-10-17-18(13)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate?
2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 295.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86778919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).