propan-2-yl 4-benzoyloxypiperidine-1-carboxylate

C16H21NO4 — CID 143813196

IUPACpropan-2-yl 4-benzoyloxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H21NO4/c1-12(2)20-16(19)17-10-8-14(9-11-17)21-15(18)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyAQQNREHOMDSHDI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.85
Rot. Bonds3

About propan-2-yl 4-benzoyloxypiperidine-1-carboxylate

propan-2-yl 4-benzoyloxypiperidine-1-carboxylate (PubChem CID 143813196) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is propan-2-yl 4-benzoyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-benzoyloxypiperidine-1-carboxylate
PubChem CID143813196
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namepropan-2-yl 4-benzoyloxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H21NO4/c1-12(2)20-16(19)17-10-8-14(9-11-17)21-15(18)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyAQQNREHOMDSHDI-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclobutylpiperidin-4-yl) benzoate
CID 174573868
(4-methoxycyclohexyl) benzoate
CID 101493670
2-(1-benzoylpiperidin-4-yl)propanamide
CID 70046438
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
tert-butyl 4-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-2-yl]benzoyl]oxypiperidine-1-carboxylate
CID 164510959
[(1S,2R,3S,4S,5R,6S)-2-benzoyloxy-4,5-dihydroxy-3,6-di(propan-2-yloxy)cyclohexyl] benzoate
CID 100984152
(4-hydroxy-4-methylcyclohexyl) benzoate
CID 13082683
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
4-[[(3S)-1-propan-2-yloxycarbonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95866884
CID 89025808
CID 89025808
(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
CID 71896452
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-benzoyloxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-benzoyloxypiperidine-1-carboxylate (CID 143813196) is propan-2-yl 4-benzoyloxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-benzoyloxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-benzoyloxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(OC(=O)c2ccccc2)CC1.
What is the InChIKey of propan-2-yl 4-benzoyloxypiperidine-1-carboxylate?
The InChIKey is AQQNREHOMDSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(2)20-16(19)17-10-8-14(9-11-17)21-15(18)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of propan-2-yl 4-benzoyloxypiperidine-1-carboxylate?
propan-2-yl 4-benzoyloxypiperidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-benzoyloxypiperidine-1-carboxylate is sourced from PubChem (CID 143813196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).