5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide

C25H25N3O2 — CID 164625682

IUPAC5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2cc(-c3ccc(-c4ccoc4)cc3)ccc2[nH]1
InChIInChI=1S/C25H25N3O2/c29-25(27-15-17-7-10-26-11-8-17)24-14-22-13-20(5-6-23(22)28-24)18-1-3-19(4-2-18)21-9-12-30-16-21/h1-6,9,12-14,16-17,26,28H,7-8,10-11,15H2,(H,27,29)
InChIKeyUWMGRDBOPBRMFA-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.82
Rot. Bonds5

About 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide

5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 164625682) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID164625682
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2cc(-c3ccc(-c4ccoc4)cc3)ccc2[nH]1
InChIInChI=1S/C25H25N3O2/c29-25(27-15-17-7-10-26-11-8-17)24-14-22-13-20(5-6-23(22)28-24)18-1-3-19(4-2-18)21-9-12-30-16-21/h1-6,9,12-14,16-17,26,28H,7-8,10-11,15H2,(H,27,29)
InChIKeyUWMGRDBOPBRMFA-UHFFFAOYSA-N
XLogP4.82
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
CID 164625128
4,5-bis[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
CID 155563587
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 172553823
6-(4-fluorophenyl)-N-[2-(piperidin-4-ylamino)ethyl]-1H-indole-2-carboxamide
CID 135324738
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
CID 146104826
5-(4-tert-butylphenyl)-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 164889338
6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889337
5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 107294763
5-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94006807

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide (CID 164625682) is 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide is O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(-c4ccoc4)cc3)ccc2[nH]1.
What is the InChIKey of 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is UWMGRDBOPBRMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25(27-15-17-7-10-26-11-8-17)24-14-22-13-20(5-6-23(22)28-24)18-1-3-19(4-2-18)21-9-12-30-16-21/h1-6,9,12-14,16-17,26,28H,7-8,10-11,15H2,(H,27,29).
What are the key properties of 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide?
5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 164625682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).