[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone

C27H27N3O2 — CID 1279407

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1
InChIInChI=1S/C27H27N3O2/c1-20-7-5-6-10-26(20)29-13-15-30(16-14-29)27(31)25-18-22-17-23(11-12-24(22)28-25)32-19-21-8-3-2-4-9-21/h2-12,17-18,28H,13-16,19H2,1H3
InChIKeyHFBANVWCHGKXON-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.02
Rot. Bonds5

About [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 1279407) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID1279407
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1
InChIInChI=1S/C27H27N3O2/c1-20-7-5-6-10-26(20)29-13-15-30(16-14-29)27(31)25-18-22-17-23(11-12-24(22)28-25)32-19-21-8-3-2-4-9-21/h2-12,17-18,28H,13-16,19H2,1H3
InChIKeyHFBANVWCHGKXON-UHFFFAOYSA-N
XLogP5.02
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
[4-(2-tert-butyl-6-phenylmethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 141284170
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone (CID 1279407) is [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone is Cc1ccccc1N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is HFBANVWCHGKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-20-7-5-6-10-26(20)29-13-15-30(16-14-29)27(31)25-18-22-17-23(11-12-24(22)28-25)32-19-21-8-3-2-4-9-21/h2-12,17-18,28H,13-16,19H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 425.53 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 1279407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).