methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate

C18H25NO5 — CID 46763822

IUPACmethyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
SMILESCCC(Oc1cccc(OC)c1)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C18H25NO5/c1-4-16(24-15-7-5-6-14(12-15)22-2)17(20)19-10-8-13(9-11-19)18(21)23-3/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyWKARACPVSRLMIX-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.26
Rot. Bonds6

About methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate

methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate (PubChem CID 46763822) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
PubChem CID46763822
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
SMILESCCC(Oc1cccc(OC)c1)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C18H25NO5/c1-4-16(24-15-7-5-6-14(12-15)22-2)17(20)19-10-8-13(9-11-19)18(21)23-3/h5-7,12-13,16H,4,8-11H2,1-3H3
InChIKeyWKARACPVSRLMIX-UHFFFAOYSA-N
XLogP2.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
4-[(2S)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carbaldehyde
CID 99956942
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(3-methoxyphenoxy)butan-1-one
CID 28571684
2-(3-methoxyphenoxy)-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 110093928
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(2R)-2-(3-methoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 94019783
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate (CID 46763822) is methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate is CCC(Oc1cccc(OC)c1)C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate?
The InChIKey is WKARACPVSRLMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-16(24-15-7-5-6-14(12-15)22-2)17(20)19-10-8-13(9-11-19)18(21)23-3/h5-7,12-13,16H,4,8-11H2,1-3H3.
What are the key properties of methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate?
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 46763822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).