methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate

C12H18N4O3 — CID 114284658

IUPACmethyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cnn(C)n1
InChIInChI=1S/C12H18N4O3/c1-15-13-8-10(14-15)12(18)16-6-4-3-5-9(16)7-11(17)19-2/h8-9H,3-7H2,1-2H3
InChIKeyPGVXTICBHKKYQD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.37
Rot. Bonds3

About methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate (PubChem CID 114284658) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
PubChem CID114284658
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cnn(C)n1
InChIInChI=1S/C12H18N4O3/c1-15-13-8-10(14-15)12(18)16-6-4-3-5-9(16)7-11(17)19-2/h8-9H,3-7H2,1-2H3
InChIKeyPGVXTICBHKKYQD-UHFFFAOYSA-N
XLogP0.37
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
CID 66122706
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate
CID 61009143

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate (CID 114284658) is methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1cnn(C)n1.
What is the InChIKey of methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate?
The InChIKey is PGVXTICBHKKYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-13-8-10(14-15)12(18)16-6-4-3-5-9(16)7-11(17)19-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 114284658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).