N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide

C21H23N3O3 — CID 97433741

IUPACN-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)cccc2c1C
InChIInChI=1S/C21H23N3O3/c1-13-14(2)22-19-16(13)7-3-8-17(19)20(25)23-15-6-4-10-24(12-15)21(26)18-9-5-11-27-18/h3,5,7-9,11,15,22H,4,6,10,12H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyAFXGVKUAZVOVCA-OAHLLOKOSA-N
MW365.43 g/mol
LogP3.41
Rot. Bonds3

About N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide

N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 97433741) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID97433741
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)cccc2c1C
InChIInChI=1S/C21H23N3O3/c1-13-14(2)22-19-16(13)7-3-8-17(19)20(25)23-15-6-4-10-24(12-15)21(26)18-9-5-11-27-18/h3,5,7-9,11,15,22H,4,6,10,12H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyAFXGVKUAZVOVCA-OAHLLOKOSA-N
XLogP3.41
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 131907567
[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
CID 42100234
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
CID 94365647
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131942294
N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
CID 131897899
5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95221445
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 131907095
N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74247026
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
N-[1-(furan-2-carbonyl)piperidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 91829889
[(3R)-3-(3-azaspiro[5.5]undecan-9-ylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 95228253

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 97433741) is N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)cccc2c1C.
What is the InChIKey of N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is AFXGVKUAZVOVCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-14(2)22-19-16(13)7-3-8-17(19)20(25)23-15-6-4-10-24(12-15)21(26)18-9-5-11-27-18/h3,5,7-9,11,15,22H,4,6,10,12H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 97433741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).