(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone

C21H23N3O — CID 67585696

IUPAC(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H23N3O/c1-16-7-8-20-18(13-16)19(14-22-20)21(25)24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12,15H2,1H3
InChIKeyRAXYEASJWPOIRY-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.43
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 67585696) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID67585696
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C21H23N3O/c1-16-7-8-20-18(13-16)19(14-22-20)21(25)24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12,15H2,1H3
InChIKeyRAXYEASJWPOIRY-UHFFFAOYSA-N
XLogP3.43
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607891
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
[4-(4-benzylpiperazine-1-carbonyl)phenyl] 2-(1H-indol-3-yl)acetate
CID 10837383
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
(4-benzylpiperazin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 36677795
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 143148058
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone (CID 67585696) is (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)N3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is RAXYEASJWPOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-7-8-20-18(13-16)19(14-22-20)21(25)24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12,15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 67585696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).