N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide

C16H22N2O3 — CID 103956701

IUPACN-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(O)c(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-11-9-14(3-4-15(11)20)16(21)18-7-5-13(6-8-18)10-17-12(2)19/h3-4,9,13,20H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyXDLLQDMPTPIUHL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.69
Rot. Bonds3

About N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 103956701) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID103956701
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(O)c(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-11-9-14(3-4-15(11)20)16(21)18-7-5-13(6-8-18)10-17-12(2)19/h3-4,9,13,20H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyXDLLQDMPTPIUHL-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide (CID 103956701) is N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccc(O)c(C)c2)CC1.
What is the InChIKey of N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is XDLLQDMPTPIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-14(3-4-15(11)20)16(21)18-7-5-13(6-8-18)10-17-12(2)19/h3-4,9,13,20H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-hydroxy-3-methylbenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103956701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).