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

C19H27NO4 — CID 132651627

IUPACmethyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
SMILESCCc1ccc(OC(CC)C(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H27NO4/c1-4-14-6-8-16(9-7-14)24-17(5-2)18(21)20-12-10-15(11-13-20)19(22)23-3/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyWGBLJNRQPNHQHK-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.82
Rot. Bonds6

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

methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate (PubChem CID 132651627) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
PubChem CID132651627
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
SMILESCCc1ccc(OC(CC)C(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H27NO4/c1-4-14-6-8-16(9-7-14)24-17(5-2)18(21)20-12-10-15(11-13-20)19(22)23-3/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyWGBLJNRQPNHQHK-UHFFFAOYSA-N
XLogP2.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822
1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
CID 132654804
(2R)-2-(4-ethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 99132960
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
ethyl 1-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]piperidine-4-carboxylate
CID 133265202
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 28567351
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 53286449

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate (CID 132651627) is methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate is CCc1ccc(OC(CC)C(=O)N2CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate?
The InChIKey is WGBLJNRQPNHQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-14-6-8-16(9-7-14)24-17(5-2)18(21)20-12-10-15(11-13-20)19(22)23-3/h6-9,15,17H,4-5,10-13H2,1-3H3.
What are the key properties of methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate?
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.82, 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-ethylphenoxy)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 132651627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).