1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate

C15H18NO4- — CID 9156848

IUPAC1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCc1cccc(OCC(=O)N2CCC(C(=O)[O-])CC2)c1
InChIInChI=1S/C15H19NO4/c1-11-3-2-4-13(9-11)20-10-14(17)16-7-5-12(6-8-16)15(18)19/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)/p-1
InChIKeyXNRFHJQDRGEYJH-UHFFFAOYSA-M
MW276.31 g/mol
LogP0.36
Rot. Bonds4

About 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate

1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 9156848) has the molecular formula C15H18NO4- and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID9156848
Molecular FormulaC15H18NO4-
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCc1cccc(OCC(=O)N2CCC(C(=O)[O-])CC2)c1
InChIInChI=1S/C15H19NO4/c1-11-3-2-4-13(9-11)20-10-14(17)16-7-5-12(6-8-16)15(18)19/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)/p-1
InChIKeyXNRFHJQDRGEYJH-UHFFFAOYSA-M
XLogP0.36
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 51327383
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate
CID 2050328
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate (CID 9156848) is 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate is Cc1cccc(OCC(=O)N2CCC(C(=O)[O-])CC2)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is XNRFHJQDRGEYJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19NO4/c1-11-3-2-4-13(9-11)20-10-14(17)16-7-5-12(6-8-16)15(18)19/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)/p-1.
What are the key properties of 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate?
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 9156848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).