4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C14H24N2O4 — CID 106498345

IUPAC4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESNC(=O)C1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H24N2O4/c15-12(17)10-3-7-16(8-4-10)9-14(20)5-1-11(2-6-14)13(18)19/h10-11,20H,1-9H2,(H2,15,17)(H,18,19)
InChIKeyPXAABFVTFPRQLA-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.19
Rot. Bonds4

About 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498345) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498345
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESNC(=O)C1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H24N2O4/c15-12(17)10-3-7-16(8-4-10)9-14(20)5-1-11(2-6-14)13(18)19/h10-11,20H,1-9H2,(H2,15,17)(H,18,19)
InChIKeyPXAABFVTFPRQLA-UHFFFAOYSA-N
XLogP0.19
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498345) is 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is NC(=O)C1CCN(CC2(O)CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is PXAABFVTFPRQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c15-12(17)10-3-7-16(8-4-10)9-14(20)5-1-11(2-6-14)13(18)19/h10-11,20H,1-9H2,(H2,15,17)(H,18,19).
What are the key properties of 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).