N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide

C14H21N3O3 — CID 107702105

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESNCCN1CCC(NC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H21N3O3/c15-3-6-17-4-1-11(2-5-17)16-14(20)10-7-12(18)9-13(19)8-10/h7-9,11,18-19H,1-6,15H2,(H,16,20)
InChIKeyUODPLCGKEODHAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds4

About N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 107702105) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID107702105
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESNCCN1CCC(NC(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H21N3O3/c15-3-6-17-4-1-11(2-5-17)16-14(20)10-7-12(18)9-13(19)8-10/h7-9,11,18-19H,1-6,15H2,(H,16,20)
InChIKeyUODPLCGKEODHAZ-UHFFFAOYSA-N
XLogP0.25
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide 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-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732271
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
N-[1-(2-aminoethyl)piperidin-4-yl]-2,6-difluoro-3-methylbenzamide
CID 82797720
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562910
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558137
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558162
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
CID 108562900

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide (CID 107702105) is N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide is NCCN1CCC(NC(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is UODPLCGKEODHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-3-6-17-4-1-11(2-5-17)16-14(20)10-7-12(18)9-13(19)8-10/h7-9,11,18-19H,1-6,15H2,(H,16,20).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).