1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide

C26H27N3O3S — CID 55966453

IUPAC1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
SMILESO=C(NCCCN1c2ccccc2Sc2ccccc21)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C26H27N3O3S/c30-25(21-11-5-6-16-29(21)26(31)22-12-7-18-32-22)27-15-8-17-28-19-9-1-3-13-23(19)33-24-14-4-2-10-20(24)28/h1-4,7,9-10,12-14,18,21H,5-6,8,11,15-17H2,(H,27,30)
InChIKeyMLFPJCBCRZTZLQ-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.08
Rot. Bonds6

About 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide

1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide (PubChem CID 55966453) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
PubChem CID55966453
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
SMILESO=C(NCCCN1c2ccccc2Sc2ccccc21)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C26H27N3O3S/c30-25(21-11-5-6-16-29(21)26(31)22-12-7-18-32-22)27-15-8-17-28-19-9-1-3-13-23(19)33-24-14-4-2-10-20(24)28/h1-4,7,9-10,12-14,18,21H,5-6,8,11,15-17H2,(H,27,30)
InChIKeyMLFPJCBCRZTZLQ-UHFFFAOYSA-N
XLogP5.08
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
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
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973768
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
(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
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 119293982
1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 55975411

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide (CID 55966453) is 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide is O=C(NCCCN1c2ccccc2Sc2ccccc21)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide?
The InChIKey is MLFPJCBCRZTZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-25(21-11-5-6-16-29(21)26(31)22-12-7-18-32-22)27-15-8-17-28-19-9-1-3-13-23(19)33-24-14-4-2-10-20(24)28/h1-4,7,9-10,12-14,18,21H,5-6,8,11,15-17H2,(H,27,30).
What are the key properties of 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 55966453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).