(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide

C14H22N3O3+ — CID 8549233

IUPAC(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
SMILESCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H21N3O3/c1-3-15-13(18)11(2)16-6-8-17(9-7-16)14(19)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,15,18)/p+1/t11-/m0/s1
InChIKeyPGTDQZOOMFTPHF-NSHDSACASA-O
MW280.35 g/mol
LogP-0.86
Rot. Bonds4

About (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide

(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 8549233) has the molecular formula C14H22N3O3+ and a molecular weight of 280.35 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
PubChem CID8549233
Molecular FormulaC14H22N3O3+
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
SMILESCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H21N3O3/c1-3-15-13(18)11(2)16-6-8-17(9-7-16)14(19)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,15,18)/p+1/t11-/m0/s1
InChIKeyPGTDQZOOMFTPHF-NSHDSACASA-O
XLogP-0.86
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431809
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9431911
(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431677
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431790
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
ethyl 2-[[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2463960
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
2-butylsulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78761813
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide (CID 8549233) is (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide is CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is PGTDQZOOMFTPHF-NSHDSACASA-O. The full InChI is InChI=1S/C14H21N3O3/c1-3-15-13(18)11(2)16-6-8-17(9-7-16)14(19)12-5-4-10-20-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,15,18)/p+1/t11-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide?
(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 280.35 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 8549233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).