N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide

C15H24N4O3 — CID 119391210

IUPACN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCCN1CCNCC1
InChIInChI=1S/C15H24N4O3/c20-14(4-6-18-15(21)13-3-1-12-22-13)17-5-2-9-19-10-7-16-8-11-19/h1,3,12,16H,2,4-11H2,(H,17,20)(H,18,21)
InChIKeyJCLBPHVAFRZILM-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.19
Rot. Bonds8

About N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide

N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide (PubChem CID 119391210) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
PubChem CID119391210
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCCN1CCNCC1
InChIInChI=1S/C15H24N4O3/c20-14(4-6-18-15(21)13-3-1-12-22-13)17-5-2-9-19-10-7-16-8-11-19/h1,3,12,16H,2,4-11H2,(H,17,20)(H,18,21)
InChIKeyJCLBPHVAFRZILM-UHFFFAOYSA-N
XLogP-0.19
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119394218
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 38552373
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
CID 39614119
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide (CID 119391210) is N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NCCCN1CCNCC1.
What is the InChIKey of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide?
The InChIKey is JCLBPHVAFRZILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-14(4-6-18-15(21)13-3-1-12-22-13)17-5-2-9-19-10-7-16-8-11-19/h1,3,12,16H,2,4-11H2,(H,17,20)(H,18,21).
What are the key properties of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide?
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 119391210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).