1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide

C22H26ClN3O2 — CID 53117839

IUPAC1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)NCCc3ccco3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O2/c1-25-14-17(20-13-18(23)4-5-21(20)25)15-26-10-7-16(8-11-26)22(27)24-9-6-19-3-2-12-28-19/h2-5,12-14,16H,6-11,15H2,1H3,(H,24,27)
InChIKeyYDYWWYSDYRMOGG-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.00
Rot. Bonds6

About 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide

1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 53117839) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID53117839
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)NCCc3ccco3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O2/c1-25-14-17(20-13-18(23)4-5-21(20)25)15-26-10-7-16(8-11-26)22(27)24-9-6-19-3-2-12-28-19/h2-5,12-14,16H,6-11,15H2,1H3,(H,24,27)
InChIKeyYDYWWYSDYRMOGG-UHFFFAOYSA-N
XLogP4.00
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(1-ethylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117852
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxamide
CID 53117838
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 95088489
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72871524
[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53013307
1-[(2,4-dichlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600278
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45006705
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide (CID 53117839) is 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide is Cn1cc(CN2CCC(C(=O)NCCc3ccco3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is YDYWWYSDYRMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25-14-17(20-13-18(23)4-5-21(20)25)15-26-10-7-16(8-11-26)22(27)24-9-6-19-3-2-12-28-19/h2-5,12-14,16H,6-11,15H2,1H3,(H,24,27).
What are the key properties of 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide?
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53117839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).