[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate

C16H21NO4 — CID 175255593

IUPAC[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate
SMILESCC[C@H](OC(=O)c1ccccc1)OC(=O)N1CCCCC1
InChIInChI=1S/C16H21NO4/c1-2-14(20-15(18)13-9-5-3-6-10-13)21-16(19)17-11-7-4-8-12-17/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/t14-/m1/s1
InChIKeyADELVPAUJNHWKJ-CQSZACIVSA-N
MW291.35 g/mol
LogP3.20
Rot. Bonds4

About [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate

[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate (PubChem CID 175255593) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate
PubChem CID175255593
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate
SMILESCC[C@H](OC(=O)c1ccccc1)OC(=O)N1CCCCC1
InChIInChI=1S/C16H21NO4/c1-2-14(20-15(18)13-9-5-3-6-10-13)21-16(19)17-11-7-4-8-12-17/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/t14-/m1/s1
InChIKeyADELVPAUJNHWKJ-CQSZACIVSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
CID 151786501
(2-phenoxy-1-phenylmethoxyethyl) azepane-1-carboxylate
CID 57003333
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
benzyl piperidine-1-carboxylate
CID 158057698
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
1-aminopropyl benzoate;copper
CID 70588917
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
1,2-dihydroxybutyl benzoate
CID 140652937
[phenyl(pyrrolidin-1-yl)methyl] benzoate
CID 162398748
propan-2-yl 4-benzoyloxypiperidine-1-carboxylate
CID 143813196
[(3S,4S)-4-hydroxyhexan-3-yl] benzoate
CID 101228669

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate?
The IUPAC name of [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate (CID 175255593) is [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate.
What is the SMILES notation for [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate?
The canonical SMILES for [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate is CC[C@H](OC(=O)c1ccccc1)OC(=O)N1CCCCC1.
What is the InChIKey of [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate?
The InChIKey is ADELVPAUJNHWKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-14(20-15(18)13-9-5-3-6-10-13)21-16(19)17-11-7-4-8-12-17/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate?
[(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-benzoyloxypropyl] piperidine-1-carboxylate is sourced from PubChem (CID 175255593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).