1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone

C14H17N3O — CID 10399535

IUPAC1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1
InChIInChI=1S/C14H17N3O/c1-10-9-17(7-6-15-10)14(18)13-8-11-4-2-3-5-12(11)16-13/h2-5,8,10,15-16H,6-7,9H2,1H3
InChIKeyHNVQQKFVQDIMFD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.60
Rot. Bonds1

About 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone

1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone (PubChem CID 10399535) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone
PubChem CID10399535
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1
InChIInChI=1S/C14H17N3O/c1-10-9-17(7-6-15-10)14(18)13-8-11-4-2-3-5-12(11)16-13/h2-5,8,10,15-16H,6-7,9H2,1H3
InChIKeyHNVQQKFVQDIMFD-UHFFFAOYSA-N
XLogP1.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone (CID 10399535) is 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1.
What is the InChIKey of 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone?
The InChIKey is HNVQQKFVQDIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-17(7-6-15-10)14(18)13-8-11-4-2-3-5-12(11)16-13/h2-5,8,10,15-16H,6-7,9H2,1H3.
What are the key properties of 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone?
1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10399535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).