(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid

C16H27NO4 — CID 99623318

IUPAC(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
SMILESCC[C@H](OC1CCCCC1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C16H27NO4/c1-2-14(21-13-8-4-3-5-9-13)15(18)17-10-6-7-12(11-17)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)/t12-,14-/m0/s1
InChIKeyRHZFXNKLORYHAK-JSGCOSHPSA-N
MW297.40 g/mol
LogP2.44
Rot. Bonds5

About (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid

(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid (PubChem CID 99623318) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
PubChem CID99623318
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
SMILESCC[C@H](OC1CCCCC1)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C16H27NO4/c1-2-14(21-13-8-4-3-5-9-13)15(18)17-10-6-7-12(11-17)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)/t12-,14-/m0/s1
InChIKeyRHZFXNKLORYHAK-JSGCOSHPSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid (CID 99623318) is (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid is CC[C@H](OC1CCCCC1)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid?
The InChIKey is RHZFXNKLORYHAK-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-14(21-13-8-4-3-5-9-13)15(18)17-10-6-7-12(11-17)16(19)20/h12-14H,2-11H2,1H3,(H,19,20)/t12-,14-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99623318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).