1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

C21H23N3O3 — CID 32530640

IUPAC1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H23N3O3/c25-20(7-3-4-16-14-22-19-6-2-1-5-18(16)19)23-9-11-24(12-10-23)21(26)17-8-13-27-15-17/h1-2,5-6,8,13-15,22H,3-4,7,9-12H2
InChIKeyDMDLHSYZPPNHJK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.07
Rot. Bonds5

About 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one (PubChem CID 32530640) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
PubChem CID32530640
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H23N3O3/c25-20(7-3-4-16-14-22-19-6-2-1-5-18(16)19)23-9-11-24(12-10-23)21(26)17-8-13-27-15-17/h1-2,5-6,8,13-15,22H,3-4,7,9-12H2
InChIKeyDMDLHSYZPPNHJK-UHFFFAOYSA-N
XLogP3.07
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757453
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one (CID 32530640) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The InChIKey is DMDLHSYZPPNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(7-3-4-16-14-22-19-6-2-1-5-18(16)19)23-9-11-24(12-10-23)21(26)17-8-13-27-15-17/h1-2,5-6,8,13-15,22H,3-4,7,9-12H2.
What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one has a molecular weight of 365.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 32530640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).