ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate

C18H25NO3 — CID 2385973

IUPACethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H25NO3/c1-4-22-18(21)16-6-5-11-19(12-16)17(20)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,4-6,11-12H2,1-3H3/t16-/m1/s1
InChIKeyNGJOFNGVMMETPX-MRXNPFEDSA-N
MW303.40 g/mol
LogP3.23
Rot. Bonds4

About ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate

ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate (PubChem CID 2385973) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
PubChem CID2385973
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H25NO3/c1-4-22-18(21)16-6-5-11-19(12-16)17(20)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,4-6,11-12H2,1-3H3/t16-/m1/s1
InChIKeyNGJOFNGVMMETPX-MRXNPFEDSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylate
CID 108880611
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate (CID 2385973) is ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate?
The InChIKey is NGJOFNGVMMETPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-22-18(21)16-6-5-11-19(12-16)17(20)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,4-6,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate?
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2385973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).