1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid

C16H19NO3 — CID 102549060

IUPAC1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC2CC2)C1c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14-9-8-13(16(19)20)15(12-4-2-1-3-5-12)17(14)10-11-6-7-11/h1-5,11,13,15H,6-10H2,(H,19,20)
InChIKeyNSBRIVDIZLWVHA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.46
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid

1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid (PubChem CID 102549060) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
PubChem CID102549060
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC2CC2)C1c1ccccc1
InChIInChI=1S/C16H19NO3/c18-14-9-8-13(16(19)20)15(12-4-2-1-3-5-12)17(14)10-11-6-7-11/h1-5,11,13,15H,6-10H2,(H,19,20)
InChIKeyNSBRIVDIZLWVHA-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95291447
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one
CID 175658366
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
2-[3-(difluoromethyl)phenyl]-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 115528867
(2S,3S)-2-(3-cyanophenyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 95276730

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid (CID 102549060) is 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CC2CC2)C1c1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The InChIKey is NSBRIVDIZLWVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14-9-8-13(16(19)20)15(12-4-2-1-3-5-12)17(14)10-11-6-7-11/h1-5,11,13,15H,6-10H2,(H,19,20).
What are the key properties of 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid?
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 102549060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).