propyl 1-benzoylpiperidine-3-carboxylate

C16H21NO3 — CID 57315331

IUPACpropyl 1-benzoylpiperidine-3-carboxylate
SMILESCCCOC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-2-11-20-16(19)14-9-6-10-17(12-14)15(18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyIZWBDWFKRFPUJX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.49
Rot. Bonds4

About propyl 1-benzoylpiperidine-3-carboxylate

propyl 1-benzoylpiperidine-3-carboxylate (PubChem CID 57315331) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is propyl 1-benzoylpiperidine-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-benzoylpiperidine-3-carboxylate
PubChem CID57315331
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namepropyl 1-benzoylpiperidine-3-carboxylate
SMILESCCCOC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C16H21NO3/c1-2-11-20-16(19)14-9-6-10-17(12-14)15(18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyIZWBDWFKRFPUJX-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
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-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl (3R)-1-benzoylpiperidine-3-carboxylate
CID 99793751
ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
CID 156780894
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354

Frequently Asked Questions

What is the IUPAC name of propyl 1-benzoylpiperidine-3-carboxylate?
The IUPAC name of propyl 1-benzoylpiperidine-3-carboxylate (CID 57315331) is propyl 1-benzoylpiperidine-3-carboxylate.
What is the SMILES notation for propyl 1-benzoylpiperidine-3-carboxylate?
The canonical SMILES for propyl 1-benzoylpiperidine-3-carboxylate is CCCOC(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of propyl 1-benzoylpiperidine-3-carboxylate?
The InChIKey is IZWBDWFKRFPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-11-20-16(19)14-9-6-10-17(12-14)15(18)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of propyl 1-benzoylpiperidine-3-carboxylate?
propyl 1-benzoylpiperidine-3-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-benzoylpiperidine-3-carboxylate is sourced from PubChem (CID 57315331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).