N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide

C14H20N4O3 — CID 66196197

IUPACN-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide
SMILESO=C(CN1CC(N2CCNCC2)C1)NC(=O)c1ccco1
InChIInChI=1S/C14H20N4O3/c19-13(16-14(20)12-2-1-7-21-12)10-17-8-11(9-17)18-5-3-15-4-6-18/h1-2,7,11,15H,3-6,8-10H2,(H,16,19,20)
InChIKeyUUNHASFKTCXMFK-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.87
Rot. Bonds4

About N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide

N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide (PubChem CID 66196197) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide
PubChem CID66196197
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide
SMILESO=C(CN1CC(N2CCNCC2)C1)NC(=O)c1ccco1
InChIInChI=1S/C14H20N4O3/c19-13(16-14(20)12-2-1-7-21-12)10-17-8-11(9-17)18-5-3-15-4-6-18/h1-2,7,11,15H,3-6,8-10H2,(H,16,19,20)
InChIKeyUUNHASFKTCXMFK-UHFFFAOYSA-N
XLogP-0.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
CID 63872942
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
CID 116637783
N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
CID 102681654
N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
CID 126615777
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
CID 82163363

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide (CID 66196197) is N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide is O=C(CN1CC(N2CCNCC2)C1)NC(=O)c1ccco1.
What is the InChIKey of N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide?
The InChIKey is UUNHASFKTCXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(16-14(20)12-2-1-7-21-12)10-17-8-11(9-17)18-5-3-15-4-6-18/h1-2,7,11,15H,3-6,8-10H2,(H,16,19,20).
What are the key properties of N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide?
N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide is sourced from PubChem (CID 66196197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).