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

C18H25NO4 — CID 78784294

IUPACethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Oc2cccc(C)c2)CC1
InChIInChI=1S/C18H25NO4/c1-4-22-18(21)15-8-10-19(11-9-15)17(20)14(3)23-16-7-5-6-13(2)12-16/h5-7,12,14-15H,4,8-11H2,1-3H3
InChIKeyBYYDZXMMGLKHAL-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.56
Rot. Bonds5

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

ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 78784294) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID78784294
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Oc2cccc(C)c2)CC1
InChIInChI=1S/C18H25NO4/c1-4-22-18(21)15-8-10-19(11-9-15)17(20)14(3)23-16-7-5-6-13(2)12-16/h5-7,12,14-15H,4,8-11H2,1-3H3
InChIKeyBYYDZXMMGLKHAL-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 119644184
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 82044939
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
2-[methyl-[(4R)-1-[(2R)-2-(3-methylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399199
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]acetic acid
CID 119136172
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
2-[acetyl-[(4R)-1-[(2S)-2-(3-methylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129468483
ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate
CID 167498478

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate (CID 78784294) is ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)Oc2cccc(C)c2)CC1.
What is the InChIKey of ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is BYYDZXMMGLKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-22-18(21)15-8-10-19(11-9-15)17(20)14(3)23-16-7-5-6-13(2)12-16/h5-7,12,14-15H,4,8-11H2,1-3H3.
What are the key properties of ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 78784294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).