N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide

C16H27N3O3 — CID 111695242

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(O)CN2CCN(C)CC2)c(C)o1
InChIInChI=1S/C16H27N3O3/c1-12-9-15(13(2)22-12)16(21)18(4)10-14(20)11-19-7-5-17(3)6-8-19/h9,14,20H,5-8,10-11H2,1-4H3
InChIKeyZWZOIRDVCKRCAW-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.58
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 111695242) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide
PubChem CID111695242
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(O)CN2CCN(C)CC2)c(C)o1
InChIInChI=1S/C16H27N3O3/c1-12-9-15(13(2)22-12)16(21)18(4)10-14(20)11-19-7-5-17(3)6-8-19/h9,14,20H,5-8,10-11H2,1-4H3
InChIKeyZWZOIRDVCKRCAW-UHFFFAOYSA-N
XLogP0.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide 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-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,4-trimethylbenzamide
CID 111695266
1-(2,5-dimethylfuran-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861107
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265
4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide
CID 111695269
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 111695348
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
3-(3,5-difluorophenyl)-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636392
3-(2,4-dimethylphenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695243
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide
CID 111695353
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 111695291
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
CID 111912435

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide (CID 111695242) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)CC(O)CN2CCN(C)CC2)c(C)o1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is ZWZOIRDVCKRCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-9-15(13(2)22-12)16(21)18(4)10-14(20)11-19-7-5-17(3)6-8-19/h9,14,20H,5-8,10-11H2,1-4H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 111695242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).