2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

C16H26N2O4 — CID 2421904

IUPAC2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESNC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C16H26N2O4/c17-15(22)12-4-8-18(9-5-12)13(19)10-16(11-14(20)21)6-2-1-3-7-16/h12H,1-11H2,(H2,17,22)(H,20,21)
InChIKeyKLUKXCSQIHFFKA-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.53
Rot. Bonds5

About 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 2421904) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID2421904
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
SMILESNC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C16H26N2O4/c17-15(22)12-4-8-18(9-5-12)13(19)10-16(11-14(20)21)6-2-1-3-7-16/h12H,1-11H2,(H2,17,22)(H,20,21)
InChIKeyKLUKXCSQIHFFKA-UHFFFAOYSA-N
XLogP1.53
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid (CID 2421904) is 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is NC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCCC2)CC1.
What is the InChIKey of 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is KLUKXCSQIHFFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c17-15(22)12-4-8-18(9-5-12)13(19)10-16(11-14(20)21)6-2-1-3-7-16/h12H,1-11H2,(H2,17,22)(H,20,21).
What are the key properties of 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 310.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2421904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).