(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid

C19H24N2O4 — CID 154767464

IUPAC(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C19H24N2O4/c1-20-17(22)15-9-10-16(19(24)25)21(11-15)18(23)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15-16H,2-4,9-11H2,1H3,(H,20,22)(H,24,25)/t15-,16-/m0/s1
InChIKeyVOUXGRJLFRDURI-HOTGVXAUSA-N
MW344.41 g/mol
LogP2.01
Rot. Bonds4

About (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid

(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 154767464) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID154767464
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C19H24N2O4/c1-20-17(22)15-9-10-16(19(24)25)21(11-15)18(23)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15-16H,2-4,9-11H2,1H3,(H,20,22)(H,24,25)/t15-,16-/m0/s1
InChIKeyVOUXGRJLFRDURI-HOTGVXAUSA-N
XLogP2.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid (CID 154767464) is (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid is CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is VOUXGRJLFRDURI-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-20-17(22)15-9-10-16(19(24)25)21(11-15)18(23)14-7-5-13(6-8-14)12-3-2-4-12/h5-8,12,15-16H,2-4,9-11H2,1H3,(H,20,22)(H,24,25)/t15-,16-/m0/s1.
What are the key properties of (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid?
(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 154767464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).