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

C14H18N4O — CID 10967174

IUPAC(7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1
InChIInChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
InChIKeyUYGLDYWRZSKBRC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.14
Rot. Bonds1

About (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10967174) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10967174
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1
InChIInChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
InChIKeyUYGLDYWRZSKBRC-UHFFFAOYSA-N
XLogP1.14
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 10967174) is (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cccc(N)c3[nH]2)CC1.
What is the InChIKey of (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UYGLDYWRZSKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3.
What are the key properties of (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10967174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).