N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide

C14H24N2O3 — CID 111459837

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H24N2O3/c17-12-5-3-4-11(8-12)9-15-13(18)10-16-7-2-1-6-14(16)19/h11-12,17H,1-10H2,(H,15,18)
InChIKeyJGDFGIUEDJYNOB-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.67
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 111459837) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID111459837
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H24N2O3/c17-12-5-3-4-11(8-12)9-15-13(18)10-16-7-2-1-6-14(16)19/h11-12,17H,1-10H2,(H,15,18)
InChIKeyJGDFGIUEDJYNOB-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 111459837) is N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide is O=C(CN1CCCCC1=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is JGDFGIUEDJYNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12-5-3-4-11(8-12)9-15-13(18)10-16-7-2-1-6-14(16)19/h11-12,17H,1-10H2,(H,15,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 111459837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).