N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide

C15H21N3O3 — CID 102739429

IUPACN-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(N)c(O)c2)CC1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-9-11-4-6-18(7-5-11)15(21)12-2-3-13(16)14(20)8-12/h2-3,8,11,20H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyCELVVWLPNCFGAC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.96
Rot. Bonds3

About N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102739429) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID102739429
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccc(N)c(O)c2)CC1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-9-11-4-6-18(7-5-11)15(21)12-2-3-13(16)14(20)8-12/h2-3,8,11,20H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyCELVVWLPNCFGAC-UHFFFAOYSA-N
XLogP0.96
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide 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

N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
methyl 2-[4-(4-amino-3-hydroxybenzoyl)piperazin-1-yl]acetate
CID 107074672
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
CID 107074297
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
(4-amino-3-hydroxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107075598
(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 107074951
N-[[1-(4-amino-1-ethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102735847

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide (CID 102739429) is N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccc(N)c(O)c2)CC1.
What is the InChIKey of N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CELVVWLPNCFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)17-9-11-4-6-18(7-5-11)15(21)12-2-3-13(16)14(20)8-12/h2-3,8,11,20H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102739429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).