1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone

C27H26N2O — CID 5152696

IUPAC1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H26N2O/c30-27(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)29-17-15-20(16-18-29)24-19-28-25-14-8-7-13-23(24)25/h1-14,19-20,26,28H,15-18H2
InChIKeyPUVZIIDKVXYRBQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.71
Rot. Bonds4

About 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone

1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 5152696) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
PubChem CID5152696
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H26N2O/c30-27(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)29-17-15-20(16-18-29)24-19-28-25-14-8-7-13-23(24)25/h1-14,19-20,26,28H,15-18H2
InChIKeyPUVZIIDKVXYRBQ-UHFFFAOYSA-N
XLogP5.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
benzyl N-[(2S)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55941483
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 129394382
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone (CID 5152696) is 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is PUVZIIDKVXYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c30-27(26(21-9-3-1-4-10-21)22-11-5-2-6-12-22)29-17-15-20(16-18-29)24-19-28-25-14-8-7-13-23(24)25/h1-14,19-20,26,28H,15-18H2.
What are the key properties of 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone?
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 394.52 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 5152696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).