ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate

C19H27NO4 — CID 110762331

IUPACethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1
InChIInChI=1S/C19H27NO4/c1-5-23-19(22)15-8-10-20(11-9-15)18(21)16-6-7-17(14(4)12-16)24-13(2)3/h6-7,12-13,15H,5,8-11H2,1-4H3
InChIKeyBSGRKHPAEGELMQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.20
Rot. Bonds5

About ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate

ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate (PubChem CID 110762331) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
PubChem CID110762331
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1
InChIInChI=1S/C19H27NO4/c1-5-23-19(22)15-8-10-20(11-9-15)18(21)16-6-7-17(14(4)12-16)24-13(2)3/h6-7,12-13,15H,5,8-11H2,1-4H3
InChIKeyBSGRKHPAEGELMQ-UHFFFAOYSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 171933184
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450
ethyl 1-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylate
CID 17230864
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate (CID 110762331) is ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1.
What is the InChIKey of ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
The InChIKey is BSGRKHPAEGELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-5-23-19(22)15-8-10-20(11-9-15)18(21)16-6-7-17(14(4)12-16)24-13(2)3/h6-7,12-13,15H,5,8-11H2,1-4H3.
What are the key properties of ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110762331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).