1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

C25H23N3O3 — CID 26324213

IUPAC1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C25H23N3O3/c29-24(17-10-12-28(13-11-17)25(30)23-9-4-14-31-23)26-20-7-3-6-18(15-20)22-16-19-5-1-2-8-21(19)27-22/h1-9,14-17,27H,10-13H2,(H,26,29)
InChIKeyYKSRKJUSJUWRIE-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.92
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 26324213) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID26324213
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C25H23N3O3/c29-24(17-10-12-28(13-11-17)25(30)23-9-4-14-31-23)26-20-7-3-6-18(15-20)22-16-19-5-1-2-8-21(19)27-22/h1-9,14-17,27H,10-13H2,(H,26,29)
InChIKeyYKSRKJUSJUWRIE-UHFFFAOYSA-N
XLogP4.92
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide (CID 26324213) is 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is YKSRKJUSJUWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24(17-10-12-28(13-11-17)25(30)23-9-4-14-31-23)26-20-7-3-6-18(15-20)22-16-19-5-1-2-8-21(19)27-22/h1-9,14-17,27H,10-13H2,(H,26,29).
What are the key properties of 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 26324213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).