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

C16H25N4O4+ — CID 9431911

IUPAC(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H24N4O4/c1-11(2)17-16(23)18-14(21)12(3)19-6-8-20(9-7-19)15(22)13-5-4-10-24-13/h4-5,10-12H,6-9H2,1-3H3,(H2,17,18,21,23)/p+1/t12-/m0/s1
InChIKeyBJRUNLDAUOZSBZ-LBPRGKRZSA-O
MW337.40 g/mol
LogP-0.76
Rot. Bonds4

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

(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 9431911) has the molecular formula C16H25N4O4+ and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID9431911
Molecular FormulaC16H25N4O4+
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H24N4O4/c1-11(2)17-16(23)18-14(21)12(3)19-6-8-20(9-7-19)15(22)13-5-4-10-24-13/h4-5,10-12H,6-9H2,1-3H3,(H2,17,18,21,23)/p+1/t12-/m0/s1
InChIKeyBJRUNLDAUOZSBZ-LBPRGKRZSA-O
XLogP-0.76
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 8549233
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46626989
(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431809
(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431677
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431790
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
azepan-1-yl(furan-2-yl)methanone
CID 5200992
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
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (CID 9431911) is (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is BJRUNLDAUOZSBZ-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H24N4O4/c1-11(2)17-16(23)18-14(21)12(3)19-6-8-20(9-7-19)15(22)13-5-4-10-24-13/h4-5,10-12H,6-9H2,1-3H3,(H2,17,18,21,23)/p+1/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 337.40 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 9431911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).