4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid

C15H20N2O5 — CID 119170892

IUPAC4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C15H20N2O5/c18-13(19)7-3-8-16-14(20)11-5-1-2-9-17(11)15(21)12-6-4-10-22-12/h4,6,10-11H,1-3,5,7-9H2,(H,16,20)(H,18,19)
InChIKeyDQLFLEJPZXAPLW-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.26
Rot. Bonds6

About 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid

4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid (PubChem CID 119170892) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
PubChem CID119170892
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C15H20N2O5/c18-13(19)7-3-8-16-14(20)11-5-1-2-9-17(11)15(21)12-6-4-10-22-12/h4,6,10-11H,1-3,5,7-9H2,(H,16,20)(H,18,19)
InChIKeyDQLFLEJPZXAPLW-UHFFFAOYSA-N
XLogP1.26
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973881
1-(furan-2-carbonyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-2-carboxamide
CID 55974900
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
6-[[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid
CID 119220280
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid (CID 119170892) is 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid?
The InChIKey is DQLFLEJPZXAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-13(19)7-3-8-16-14(20)11-5-1-2-9-17(11)15(21)12-6-4-10-22-12/h4,6,10-11H,1-3,5,7-9H2,(H,16,20)(H,18,19).
What are the key properties of 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid?
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119170892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).