(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone

C22H25N3O — CID 164547017

IUPAC(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccc1)N1CCN(C(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C22H25N3O/c1-17(18-8-4-3-5-9-18)24-12-14-25(15-13-24)22(26)21-16-19-10-6-7-11-20(19)23(21)2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyKGQKEIDSLHGCMY-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.70
Rot. Bonds3

About (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone

(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 164547017) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
PubChem CID164547017
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccccc1)N1CCN(C(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C22H25N3O/c1-17(18-8-4-3-5-9-18)24-12-14-25(15-13-24)22(26)21-16-19-10-6-7-11-20(19)23(21)2/h3-11,16-17H,12-15H2,1-2H3
InChIKeyKGQKEIDSLHGCMY-UHFFFAOYSA-N
XLogP3.70
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
3-[4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]benzoic acid
CID 2050859
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 46199909
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873055
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 91005889
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone (CID 164547017) is (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone is CC(c1ccccc1)N1CCN(C(=O)c2cc3ccccc3n2C)CC1.
What is the InChIKey of (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is KGQKEIDSLHGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17(18-8-4-3-5-9-18)24-12-14-25(15-13-24)22(26)21-16-19-10-6-7-11-20(19)23(21)2/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 164547017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).