methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate

C17H23NO4 — CID 3155107

IUPACmethyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
SMILESCCC(Oc1ccccc1)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H23NO4/c1-3-15(22-14-7-5-4-6-8-14)16(19)18-11-9-13(10-12-18)17(20)21-2/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyUBBPGCKQLYSKDQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.26
Rot. Bonds5

About methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate

methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate (PubChem CID 3155107) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
PubChem CID3155107
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
SMILESCCC(Oc1ccccc1)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H23NO4/c1-3-15(22-14-7-5-4-6-8-14)16(19)18-11-9-13(10-12-18)17(20)21-2/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyUBBPGCKQLYSKDQ-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-phenoxybutan-1-one
CID 79410096
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 28567351
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
CID 70054611
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate (CID 3155107) is methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate is CCC(Oc1ccccc1)C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate?
The InChIKey is UBBPGCKQLYSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-15(22-14-7-5-4-6-8-14)16(19)18-11-9-13(10-12-18)17(20)21-2/h4-8,13,15H,3,9-12H2,1-2H3.
What are the key properties of methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate?
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 3155107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).