N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide

C15H25N3O2 — CID 110484706

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide
SMILESCCN1CCN(CCCNC(=O)Cc2ccco2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-17-8-10-18(11-9-17)7-4-6-16-15(19)13-14-5-3-12-20-14/h3,5,12H,2,4,6-11,13H2,1H3,(H,16,19)
InChIKeyWDWTUUYIMHSRQL-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.97
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide (PubChem CID 110484706) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide
PubChem CID110484706
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide
SMILESCCN1CCN(CCCNC(=O)Cc2ccco2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-17-8-10-18(11-9-17)7-4-6-16-15(19)13-14-5-3-12-20-14/h3,5,12H,2,4,6-11,13H2,1H3,(H,16,19)
InChIKeyWDWTUUYIMHSRQL-UHFFFAOYSA-N
XLogP0.97
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide
CID 110484658
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
(2S)-2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 22886039
2-amino-6-[[2-(furan-2-yl)acetyl]amino]hexanoic acid
CID 21189455
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399050
N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-(furan-2-yl)acetamide
CID 97007740
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide (CID 110484706) is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide is CCN1CCN(CCCNC(=O)Cc2ccco2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide?
The InChIKey is WDWTUUYIMHSRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-17-8-10-18(11-9-17)7-4-6-16-15(19)13-14-5-3-12-20-14/h3,5,12H,2,4,6-11,13H2,1H3,(H,16,19).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 110484706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).