N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide

C22H27N3O3 — CID 90889256

IUPACN-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)NCc4ccco4)cc3c2)CC1
InChIInChI=1S/C22H27N3O3/c1-15(2)25-9-7-17(8-10-25)28-18-5-6-20-16(12-18)13-21(24-20)22(26)23-14-19-4-3-11-27-19/h3-6,11-13,15,17,24H,7-10,14H2,1-2H3,(H,23,26)
InChIKeyWIEJPKUQGGYIEN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.94
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide

N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide (PubChem CID 90889256) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
PubChem CID90889256
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)NCc4ccco4)cc3c2)CC1
InChIInChI=1S/C22H27N3O3/c1-15(2)25-9-7-17(8-10-25)28-18-5-6-20-16(12-18)13-21(24-20)22(26)23-14-19-4-3-11-27-19/h3-6,11-13,15,17,24H,7-10,14H2,1-2H3,(H,23,26)
InChIKeyWIEJPKUQGGYIEN-UHFFFAOYSA-N
XLogP3.94
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790211
methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
CID 150365162
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
(4-fluorophenyl)sulfonyl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 87759520
N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69073982
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 60503609
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 69283299
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 74586245
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide (CID 90889256) is N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide is CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)NCc4ccco4)cc3c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide?
The InChIKey is WIEJPKUQGGYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(2)25-9-7-17(8-10-25)28-18-5-6-20-16(12-18)13-21(24-20)22(26)23-14-19-4-3-11-27-19/h3-6,11-13,15,17,24H,7-10,14H2,1-2H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide?
N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide is sourced from PubChem (CID 90889256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).