1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone

C11H17N3O — CID 19041017

IUPAC1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2C=CC=CN2)CC1
InChIInChI=1S/C11H17N3O/c1-13-6-8-14(9-7-13)11(15)10-4-2-3-5-12-10/h2-5,10,12H,6-9H2,1H3
InChIKeyUFQZGWDKPALHIK-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.20
Rot. Bonds1

About 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone

1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 19041017) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID19041017
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2C=CC=CN2)CC1
InChIInChI=1S/C11H17N3O/c1-13-6-8-14(9-7-13)11(15)10-4-2-3-5-12-10/h2-5,10,12H,6-9H2,1H3
InChIKeyUFQZGWDKPALHIK-UHFFFAOYSA-N
XLogP-0.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone (CID 19041017) is 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2C=CC=CN2)CC1.
What is the InChIKey of 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UFQZGWDKPALHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-8-14(9-7-13)11(15)10-4-2-3-5-12-10/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 19041017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).