1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid

C16H27NO3 — CID 106742115

IUPAC1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-11-14(16(19)20)9-10-17(12)15(18)8-7-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyMQPZVMWIBRTJJT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid

1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742115) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742115
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-11-14(16(19)20)9-10-17(12)15(18)8-7-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyMQPZVMWIBRTJJT-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
2-methyl-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 106742221
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
2-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-4-carboxylic acid
CID 106743021
3-cyclohexyl-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82245084
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106741697
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
CID 99808840
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid (CID 106742115) is 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)CCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is MQPZVMWIBRTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-11-14(16(19)20)9-10-17(12)15(18)8-7-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid?
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).