1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

C22H27N3O2 — CID 77090227

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H27N3O2/c1-15-6-7-16(2)22-21(15)19(17(3)23-22)13-20(26)25-10-8-24(9-11-25)14-18-5-4-12-27-18/h4-7,12,23H,8-11,13-14H2,1-3H3
InChIKeyUBNUPYGUYOGUNH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.57
Rot. Bonds4

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (PubChem CID 77090227) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
PubChem CID77090227
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H27N3O2/c1-15-6-7-16(2)22-21(15)19(17(3)23-22)13-20(26)25-10-8-24(9-11-25)14-18-5-4-12-27-18/h4-7,12,23H,8-11,13-14H2,1-3H3
InChIKeyUBNUPYGUYOGUNH-UHFFFAOYSA-N
XLogP3.57
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70743384
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 23848048
2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 19572435

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (CID 77090227) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The InChIKey is UBNUPYGUYOGUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-6-7-16(2)22-21(15)19(17(3)23-22)13-20(26)25-10-8-24(9-11-25)14-18-5-4-12-27-18/h4-7,12,23H,8-11,13-14H2,1-3H3.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 77090227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).