1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone

C14H17N3O — CID 4060730

IUPAC1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3
InChIKeyYHFMZBHLJMFAID-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds1

About 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 4060730) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID4060730
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3
InChIKeyYHFMZBHLJMFAID-UHFFFAOYSA-N
XLogP1.56
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone (CID 4060730) is 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YHFMZBHLJMFAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone?
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4060730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).