[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone

C22H25N3O — CID 97140510

IUPAC[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCN[C@H](c4ccccc4)C3)[nH]c12
InChIInChI=1S/C22H25N3O/c1-14-9-10-15(2)20-19(14)16(3)21(24-20)22(26)25-12-11-23-18(13-25)17-7-5-4-6-8-17/h4-10,18,23-24H,11-13H2,1-3H3/t18-/m0/s1
InChIKeyILHVHRXSMAXBII-SFHVURJKSA-N
MW347.46 g/mol
LogP3.88
Rot. Bonds2

About [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone

[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 97140510) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID97140510
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCN[C@H](c4ccccc4)C3)[nH]c12
InChIInChI=1S/C22H25N3O/c1-14-9-10-15(2)20-19(14)16(3)21(24-20)22(26)25-12-11-23-18(13-25)17-7-5-4-6-8-17/h4-10,18,23-24H,11-13H2,1-3H3/t18-/m0/s1
InChIKeyILHVHRXSMAXBII-SFHVURJKSA-N
XLogP3.88
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97149989
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[3-(2-methoxyphenoxy)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70716899
(2-methylphenyl)-(3-phenyl-1,4-diazepan-1-yl)methanone
CID 82251319
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95730223
[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 56865765
[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97134757
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (CID 97140510) is [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is Cc1ccc(C)c2c(C)c(C(=O)N3CCN[C@H](c4ccccc4)C3)[nH]c12.
What is the InChIKey of [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is ILHVHRXSMAXBII-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-9-10-15(2)20-19(14)16(3)21(24-20)22(26)25-12-11-23-18(13-25)17-7-5-4-6-8-17/h4-10,18,23-24H,11-13H2,1-3H3/t18-/m0/s1.
What are the key properties of [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 97140510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).