[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone

C30H33N3O2 — CID 141284170

IUPAC[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(C)c1cccc(OCc2ccccc2)c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C30H33N3O2/c1-30(2,3)24-13-9-15-27(35-21-22-10-5-4-6-11-22)28(24)32-16-18-33(19-17-32)29(34)26-20-23-12-7-8-14-25(23)31-26/h4-15,20,31H,16-19,21H2,1-3H3
InChIKeyFFJFBGHFPZDVRR-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.01
Rot. Bonds5

About [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 141284170) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID141284170
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(C)c1cccc(OCc2ccccc2)c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C30H33N3O2/c1-30(2,3)24-13-9-15-27(35-21-22-10-5-4-6-11-22)28(24)32-16-18-33(19-17-32)29(34)26-20-23-12-7-8-14-25(23)31-26/h4-15,20,31H,16-19,21H2,1-3H3
InChIKeyFFJFBGHFPZDVRR-UHFFFAOYSA-N
XLogP6.01
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
methyl 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 71710533
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
1H-indol-2-yl-(2-phenylmethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576163
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 53001326

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 141284170) is [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is CC(C)(C)c1cccc(OCc2ccccc2)c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is FFJFBGHFPZDVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-30(2,3)24-13-9-15-27(35-21-22-10-5-4-6-11-22)28(24)32-16-18-33(19-17-32)29(34)26-20-23-12-7-8-14-25(23)31-26/h4-15,20,31H,16-19,21H2,1-3H3.
What are the key properties of [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 467.61 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 141284170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).