ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate

C19H25NO4 — CID 46987837

IUPACethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate
SMILESC=C(C)COc1ccc(C(=O)N2CCCCC2C(=O)OCC)cc1
InChIInChI=1S/C19H25NO4/c1-4-23-19(22)17-7-5-6-12-20(17)18(21)15-8-10-16(11-9-15)24-13-14(2)3/h8-11,17H,2,4-7,12-13H2,1,3H3
InChIKeyOLKVEPAEVJBIOV-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.20
Rot. Bonds6

About ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate

ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate (PubChem CID 46987837) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate
PubChem CID46987837
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nameethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate
SMILESC=C(C)COc1ccc(C(=O)N2CCCCC2C(=O)OCC)cc1
InChIInChI=1S/C19H25NO4/c1-4-23-19(22)17-7-5-6-12-20(17)18(21)15-8-10-16(11-9-15)24-13-14(2)3/h8-11,17H,2,4-7,12-13H2,1,3H3
InChIKeyOLKVEPAEVJBIOV-UHFFFAOYSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
[2-(hydroxymethyl)piperidin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 46986550
ethyl (2S)-1-(4-decoxybenzoyl)pyrrolidine-2-carboxylate
CID 56622228
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
ethyl (2S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-2-carboxylate
CID 52812175
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate (CID 46987837) is ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate is C=C(C)COc1ccc(C(=O)N2CCCCC2C(=O)OCC)cc1.
What is the InChIKey of ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate?
The InChIKey is OLKVEPAEVJBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-4-23-19(22)17-7-5-6-12-20(17)18(21)15-8-10-16(11-9-15)24-13-14(2)3/h8-11,17H,2,4-7,12-13H2,1,3H3.
What are the key properties of ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate?
ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 46987837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).