1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 43590255

IUPAC1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)N1CCCC(CO)C1
InChIInChI=1S/C15H25NO4/c17-11-12-5-4-8-16(10-12)13(18)9-15(14(19)20)6-2-1-3-7-15/h12,17H,1-11H2,(H,19,20)
InChIKeyKVYXUBQJJMQSBS-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43590255) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43590255
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)N1CCCC(CO)C1
InChIInChI=1S/C15H25NO4/c17-11-12-5-4-8-16(10-12)13(18)9-15(14(19)20)6-2-1-3-7-15/h12,17H,1-11H2,(H,19,20)
InChIKeyKVYXUBQJJMQSBS-UHFFFAOYSA-N
XLogP1.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43590255) is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)N1CCCC(CO)C1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is KVYXUBQJJMQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-11-12-5-4-8-16(10-12)13(18)9-15(14(19)20)6-2-1-3-7-15/h12,17H,1-11H2,(H,19,20).
What are the key properties of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43590255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).