methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate

C18H25NO4 — CID 108754998

IUPACmethyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCCCc1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C18H25NO4/c1-3-4-14-5-7-16(8-6-14)23-13-17(20)19-11-9-15(10-12-19)18(21)22-2/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyGFSFWVWVZNYLSK-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.43
Rot. Bonds6

About methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate

methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 108754998) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID108754998
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namemethyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCCCc1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C18H25NO4/c1-3-4-14-5-7-16(8-6-14)23-13-17(20)19-11-9-15(10-12-19)18(21)22-2/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyGFSFWVWVZNYLSK-UHFFFAOYSA-N
XLogP2.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
methyl 1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 84603993
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535804
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate (CID 108754998) is methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate is CCCc1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is GFSFWVWVZNYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-4-14-5-7-16(8-6-14)23-13-17(20)19-11-9-15(10-12-19)18(21)22-2/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 108754998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).