1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide

C17H25N3O4 — CID 55883255

IUPAC1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCCNC(=O)c2ccco2)C1
InChIInChI=1S/C17H25N3O4/c1-2-5-15(21)20-10-3-6-13(12-20)16(22)18-8-9-19-17(23)14-7-4-11-24-14/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3,(H,18,22)(H,19,23)
InChIKeyOYLUSUIWDSVFHF-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.16
Rot. Bonds7

About 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide

1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide (PubChem CID 55883255) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
PubChem CID55883255
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCCNC(=O)c2ccco2)C1
InChIInChI=1S/C17H25N3O4/c1-2-5-15(21)20-10-3-6-13(12-20)16(22)18-8-9-19-17(23)14-7-4-11-24-14/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3,(H,18,22)(H,19,23)
InChIKeyOYLUSUIWDSVFHF-UHFFFAOYSA-N
XLogP1.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.16
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-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-[2-(furan-2-carbonylamino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55548927
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide (CID 55883255) is 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NCCNC(=O)c2ccco2)C1.
What is the InChIKey of 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is OYLUSUIWDSVFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-2-5-15(21)20-10-3-6-13(12-20)16(22)18-8-9-19-17(23)14-7-4-11-24-14/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide?
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55883255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).