(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone

C21H23N3O — CID 10735404

IUPAC(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C21H23N3O/c1-22-11-13-23(14-12-22)21(25)19-16-24(15-17-7-3-2-4-8-17)20-10-6-5-9-18(19)20/h2-10,16H,11-15H2,1H3
InChIKeyCUZQSEIWLCAPGT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.08
Rot. Bonds3

About (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone

(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10735404) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10735404
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C21H23N3O/c1-22-11-13-23(14-12-22)21(25)19-16-24(15-17-7-3-2-4-8-17)20-10-6-5-9-18(19)20/h2-10,16H,11-15H2,1H3
InChIKeyCUZQSEIWLCAPGT-UHFFFAOYSA-N
XLogP3.08
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532971
1-(4-benzylpiperazin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173159
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 10735404) is (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CUZQSEIWLCAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-22-11-13-23(14-12-22)21(25)19-16-24(15-17-7-3-2-4-8-17)20-10-6-5-9-18(19)20/h2-10,16H,11-15H2,1H3.
What are the key properties of (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10735404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).