methyl 3-(3-piperidin-4-yloxyphenyl)propanoate

C15H21NO3 — CID 144899460

IUPACmethyl 3-(3-piperidin-4-yloxyphenyl)propanoate
SMILESCOC(=O)CCc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)6-5-12-3-2-4-14(11-12)19-13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3
InChIKeySERWBCVEKHMFJC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-(3-piperidin-4-yloxyphenyl)propanoate

methyl 3-(3-piperidin-4-yloxyphenyl)propanoate (PubChem CID 144899460) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(3-piperidin-4-yloxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-piperidin-4-yloxyphenyl)propanoate
PubChem CID144899460
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(3-piperidin-4-yloxyphenyl)propanoate
SMILESCOC(=O)CCc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)6-5-12-3-2-4-14(11-12)19-13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3
InChIKeySERWBCVEKHMFJC-UHFFFAOYSA-N
XLogP1.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
methyl 3-(3-piperidin-4-ylphenyl)propanoate
CID 116988945
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
CID 117095058
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580262
methyl 3-[3-[(3-methylpyrrolidin-3-yl)methoxy]phenyl]propanoate
CID 144899240
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-piperidin-4-yloxyphenyl)propanoate?
The IUPAC name of methyl 3-(3-piperidin-4-yloxyphenyl)propanoate (CID 144899460) is methyl 3-(3-piperidin-4-yloxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(3-piperidin-4-yloxyphenyl)propanoate?
The canonical SMILES for methyl 3-(3-piperidin-4-yloxyphenyl)propanoate is COC(=O)CCc1cccc(OC2CCNCC2)c1.
What is the InChIKey of methyl 3-(3-piperidin-4-yloxyphenyl)propanoate?
The InChIKey is SERWBCVEKHMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)6-5-12-3-2-4-14(11-12)19-13-7-9-16-10-8-13/h2-4,11,13,16H,5-10H2,1H3.
What are the key properties of methyl 3-(3-piperidin-4-yloxyphenyl)propanoate?
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-piperidin-4-yloxyphenyl)propanoate is sourced from PubChem (CID 144899460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).