2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide

C16H25N3O2 — CID 119394204

IUPAC2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-14(21-15-6-3-2-4-7-15)16(20)18-8-5-11-19-12-9-17-10-13-19/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20)
InChIKeySCSBCDGYHPIEPM-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.87
Rot. Bonds7

About 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide

2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 119394204) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID119394204
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-14(21-15-6-3-2-4-7-15)16(20)18-8-5-11-19-12-9-17-10-13-19/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20)
InChIKeySCSBCDGYHPIEPM-UHFFFAOYSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391090
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide (CID 119394204) is 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide is CC(Oc1ccccc1)C(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is SCSBCDGYHPIEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14(21-15-6-3-2-4-7-15)16(20)18-8-5-11-19-12-9-17-10-13-19/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20).
What are the key properties of 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide?
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 119394204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).