2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide

C15H21N3O3 — CID 60968756

IUPAC2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCC(CO)CC1
InChIInChI=1S/C15H21N3O3/c16-15(21)12-3-1-2-4-13(12)17-14(20)9-18-7-5-11(10-19)6-8-18/h1-4,11,19H,5-10H2,(H2,16,21)(H,17,20)
InChIKeyALPRGQCXDSZYQC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.43
Rot. Bonds5

About 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide

2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide (PubChem CID 60968756) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
PubChem CID60968756
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCC(CO)CC1
InChIInChI=1S/C15H21N3O3/c16-15(21)12-3-1-2-4-13(12)17-14(20)9-18-7-5-11(10-19)6-8-18/h1-4,11,19H,5-10H2,(H2,16,21)(H,17,20)
InChIKeyALPRGQCXDSZYQC-UHFFFAOYSA-N
XLogP0.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide 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

2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide (CID 60968756) is 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCC(CO)CC1.
What is the InChIKey of 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide?
The InChIKey is ALPRGQCXDSZYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(21)12-3-1-2-4-13(12)17-14(20)9-18-7-5-11(10-19)6-8-18/h1-4,11,19H,5-10H2,(H2,16,21)(H,17,20).
What are the key properties of 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 60968756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).