1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C20H23N3O2 — CID 19572376

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H23N3O2/c24-20(8-7-16-14-21-19-6-2-1-5-18(16)19)23-11-9-22(10-12-23)15-17-4-3-13-25-17/h1-6,13-14,21H,7-12,15H2
InChIKeyAMARULKXWOQQIJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 19572376) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID19572376
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H23N3O2/c24-20(8-7-16-14-21-19-6-2-1-5-18(16)19)23-11-9-22(10-12-23)15-17-4-3-13-25-17/h1-6,13-14,21H,7-12,15H2
InChIKeyAMARULKXWOQQIJ-UHFFFAOYSA-N
XLogP3.04
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 17426212
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 4807028
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
3-(1H-indol-3-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 138385015
1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 18115926
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110397481
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 19572376) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is AMARULKXWOQQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(8-7-16-14-21-19-6-2-1-5-18(16)19)23-11-9-22(10-12-23)15-17-4-3-13-25-17/h1-6,13-14,21H,7-12,15H2.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 3.04, 5 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]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 19572376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).