ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate

C18H25NO5 — CID 94014630

IUPACethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC)c(OC)c2)C1
InChIInChI=1S/C18H25NO5/c1-4-23-15-9-8-13(11-16(15)22-3)17(20)19-10-6-7-14(12-19)18(21)24-5-2/h8-9,11,14H,4-7,10,12H2,1-3H3/t14-/m1/s1
InChIKeyMSKGLVZRVHPEGV-CQSZACIVSA-N
MW335.40 g/mol
LogP2.51
Rot. Bonds6

About ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate

ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate (PubChem CID 94014630) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
PubChem CID94014630
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC)c(OC)c2)C1
InChIInChI=1S/C18H25NO5/c1-4-23-15-9-8-13(11-16(15)22-3)17(20)19-10-6-7-14(12-19)18(21)24-5-2/h8-9,11,14H,4-7,10,12H2,1-3H3/t14-/m1/s1
InChIKeyMSKGLVZRVHPEGV-CQSZACIVSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
CID 107074308
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate (CID 94014630) is ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC)c(OC)c2)C1.
What is the InChIKey of ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate?
The InChIKey is MSKGLVZRVHPEGV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-23-15-9-8-13(11-16(15)22-3)17(20)19-10-6-7-14(12-19)18(21)24-5-2/h8-9,11,14H,4-7,10,12H2,1-3H3/t14-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate?
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 94014630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).