ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate

C19H27NO4 — CID 110675706

IUPACethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)c2cccc(OC)c2)CC1
InChIInChI=1S/C19H27NO4/c1-4-24-19(22)15-8-10-20(11-9-15)18(21)12-14(2)16-6-5-7-17(13-16)23-3/h5-7,13-15H,4,8-12H2,1-3H3
InChIKeyCPGBYBKCVOMXSX-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.99
Rot. Bonds6

About ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate

ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate (PubChem CID 110675706) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
PubChem CID110675706
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(C)c2cccc(OC)c2)CC1
InChIInChI=1S/C19H27NO4/c1-4-24-19(22)15-8-10-20(11-9-15)18(21)12-14(2)16-6-5-7-17(13-16)23-3/h5-7,13-15H,4,8-12H2,1-3H3
InChIKeyCPGBYBKCVOMXSX-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
ethyl 1-[N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156514
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
(3S,4S)-1-[3-(3-methoxyphenyl)butanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952834
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
ethyl 3-(3-methoxyphenyl)-3-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoate
CID 55878992
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate (CID 110675706) is ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(C)c2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate?
The InChIKey is CPGBYBKCVOMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-24-19(22)15-8-10-20(11-9-15)18(21)12-14(2)16-6-5-7-17(13-16)23-3/h5-7,13-15H,4,8-12H2,1-3H3.
What are the key properties of ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 110675706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).