1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one

C23H27N3O — CID 47051691

IUPAC1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c27-23(12-6-7-18-17-24-22-11-5-4-10-21(18)22)26-15-13-20(14-16-26)25-19-8-2-1-3-9-19/h1-5,8-11,17,20,24-25H,6-7,12-16H2
InChIKeyCXMFCEGWMSYNPS-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.59
Rot. Bonds6

About 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one

1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one (PubChem CID 47051691) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
PubChem CID47051691
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c27-23(12-6-7-18-17-24-22-11-5-4-10-21(18)22)26-15-13-20(14-16-26)25-19-8-2-1-3-9-19/h1-5,8-11,17,20,24-25H,6-7,12-16H2
InChIKeyCXMFCEGWMSYNPS-UHFFFAOYSA-N
XLogP4.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
2-(1H-indol-3-yl)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819576
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one (CID 47051691) is 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one?
The InChIKey is CXMFCEGWMSYNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(12-6-7-18-17-24-22-11-5-4-10-21(18)22)26-15-13-20(14-16-26)25-19-8-2-1-3-9-19/h1-5,8-11,17,20,24-25H,6-7,12-16H2.
What are the key properties of 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one?
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 47051691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).