2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate

C16H20NO4- — CID 46942259

IUPAC2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate
SMILESO=C(CCC1CCCCN1C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C16H21NO4/c18-15(21-12-13-6-2-1-3-7-13)10-9-14-8-4-5-11-17(14)16(19)20/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)/p-1
InChIKeyZBVVDYRVVZKFMH-UHFFFAOYSA-M
MW290.34 g/mol
LogP1.71
Rot. Bonds5

About 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate

2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate (PubChem CID 46942259) has the molecular formula C16H20NO4- and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate
PubChem CID46942259
Molecular FormulaC16H20NO4-
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate
SMILESO=C(CCC1CCCCN1C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C16H21NO4/c18-15(21-12-13-6-2-1-3-7-13)10-9-14-8-4-5-11-17(14)16(19)20/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)/p-1
InChIKeyZBVVDYRVVZKFMH-UHFFFAOYSA-M
XLogP1.71
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[(2R)-1-(2-chloroacetyl)piperidin-2-yl]propanoate
CID 159798901
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
diethyl 2-[(2R)-2-(3-oxo-3-phenylmethoxypropyl)pyrrolidin-1-yl]propanedioate
CID 58375775
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
sodium (1-phenylmethoxycarbonylpiperidin-2-yl)methanesulfinate
CID 165454151
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl 2-(3-oxodecyl)pyrrolidine-1-carboxylate
CID 10642227
benzyl (2S)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97169075
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
methyl 2-benzylazepane-1-carboxylate
CID 102314657

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate?
The IUPAC name of 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate (CID 46942259) is 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate?
The canonical SMILES for 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate is O=C(CCC1CCCCN1C(=O)[O-])OCc1ccccc1.
What is the InChIKey of 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate?
The InChIKey is ZBVVDYRVVZKFMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21NO4/c18-15(21-12-13-6-2-1-3-7-13)10-9-14-8-4-5-11-17(14)16(19)20/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)/p-1.
What are the key properties of 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate?
2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-phenylmethoxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 46942259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).