4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid

C15H22N2O4 — CID 102736546

IUPAC4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
SMILESCC(=O)NCC1CCN(Cc2cc(C(=O)O)oc2C)CC1
InChIInChI=1S/C15H22N2O4/c1-10-13(7-14(21-10)15(19)20)9-17-5-3-12(4-6-17)8-16-11(2)18/h7,12H,3-6,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXVQGAFVVKXJACZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.63
Rot. Bonds5

About 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid

4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 102736546) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID102736546
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
SMILESCC(=O)NCC1CCN(Cc2cc(C(=O)O)oc2C)CC1
InChIInChI=1S/C15H22N2O4/c1-10-13(7-14(21-10)15(19)20)9-17-5-3-12(4-6-17)8-16-11(2)18/h7,12H,3-6,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXVQGAFVVKXJACZ-UHFFFAOYSA-N
XLogP1.63
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 82691035
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 63579534
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736075
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 63164030
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 121057623
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid (CID 102736546) is 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid is CC(=O)NCC1CCN(Cc2cc(C(=O)O)oc2C)CC1.
What is the InChIKey of 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is XVQGAFVVKXJACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-13(7-14(21-10)15(19)20)9-17-5-3-12(4-6-17)8-16-11(2)18/h7,12H,3-6,8-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid?
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 102736546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).