N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide

C18H25N3O4 — CID 47039869

IUPACN-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c22-15(13-25-16-4-2-1-3-5-16)12-20-8-10-21(11-9-20)18(24)17(23)19-14-6-7-14/h1-5,14-15,22H,6-13H2,(H,19,23)
InChIKeyFTEPSCHUJCZWML-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.15
Rot. Bonds6

About N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 47039869) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID47039869
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c22-15(13-25-16-4-2-1-3-5-16)12-20-8-10-21(11-9-20)18(24)17(23)19-14-6-7-14/h1-5,14-15,22H,6-13H2,(H,19,23)
InChIKeyFTEPSCHUJCZWML-UHFFFAOYSA-N
XLogP-0.15
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide 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

cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
CID 43039511
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1119139
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]butan-1-one
CID 119881232
2-hydroxy-N-[1-[2-hydroxy-3-[4-(3-phenylpropoxy)phenoxy]propyl]piperidin-4-yl]acetamide
CID 58723293
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
(2-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 123132402

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide (CID 47039869) is N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is FTEPSCHUJCZWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-15(13-25-16-4-2-1-3-5-16)12-20-8-10-21(11-9-20)18(24)17(23)19-14-6-7-14/h1-5,14-15,22H,6-13H2,(H,19,23).
What are the key properties of N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 347.42 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 47039869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).