benzyl (2R)-2-acetylpiperidine-1-carboxylate

C15H19NO3 — CID 89477385

IUPACbenzyl (2R)-2-acetylpiperidine-1-carboxylate
SMILESCC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-12(17)14-9-5-6-10-16(14)15(18)19-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3/t14-/m1/s1
InChIKeyPKHMVCRLHTWZMA-CQSZACIVSA-N
MW261.32 g/mol
LogP2.77
Rot. Bonds3

About benzyl (2R)-2-acetylpiperidine-1-carboxylate

benzyl (2R)-2-acetylpiperidine-1-carboxylate (PubChem CID 89477385) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl (2R)-2-acetylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-acetylpiperidine-1-carboxylate
PubChem CID89477385
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl (2R)-2-acetylpiperidine-1-carboxylate
SMILESCC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-12(17)14-9-5-6-10-16(14)15(18)19-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3/t14-/m1/s1
InChIKeyPKHMVCRLHTWZMA-CQSZACIVSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl 2-(2-acetyl-3-oxobutanoyl)pyrrolidine-1-carboxylate
CID 59850464
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
1-O-benzyl 3-O-methyl (3R,6S)-6-acetylpiperidine-1,3-dicarboxylate
CID 86727789
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-acetylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-acetylpiperidine-1-carboxylate (CID 89477385) is benzyl (2R)-2-acetylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-acetylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-acetylpiperidine-1-carboxylate is CC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-acetylpiperidine-1-carboxylate?
The InChIKey is PKHMVCRLHTWZMA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(17)14-9-5-6-10-16(14)15(18)19-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3/t14-/m1/s1.
What are the key properties of benzyl (2R)-2-acetylpiperidine-1-carboxylate?
benzyl (2R)-2-acetylpiperidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-acetylpiperidine-1-carboxylate is sourced from PubChem (CID 89477385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).