(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone

C21H25N3O2 — CID 136538921

IUPAC(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccnc(N2CCN(C(=O)C3CCc4cc(C)ccc4O3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-3-5-18-17(13-15)4-6-19(26-18)21(25)24-11-9-23(10-12-24)20-14-16(2)7-8-22-20/h3,5,7-8,13-14,19H,4,6,9-12H2,1-2H3
InChIKeyRALRAPSOOILANP-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.74
Rot. Bonds2

About (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone

(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 136538921) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID136538921
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccnc(N2CCN(C(=O)C3CCc4cc(C)ccc4O3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-3-5-18-17(13-15)4-6-19(26-18)21(25)24-11-9-23(10-12-24)20-14-16(2)7-8-22-20/h3,5,7-8,13-14,19H,4,6,9-12H2,1-2H3
InChIKeyRALRAPSOOILANP-UHFFFAOYSA-N
XLogP2.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 154839744
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083
N-(2-cyclobutylpyrimidin-5-yl)-4-(4-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 166286407
N-(2-cyclobutylpyrazol-3-yl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 136567760
3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347236
N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide
CID 154577921
[4-[2-amino-6-(4-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
CID 59647870
[(2S)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 99848877
2,3-dihydro-1-benzofuran-2-yl-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263199

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 136538921) is (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1ccnc(N2CCN(C(=O)C3CCc4cc(C)ccc4O3)CC2)c1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is RALRAPSOOILANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-3-5-18-17(13-15)4-6-19(26-18)21(25)24-11-9-23(10-12-24)20-14-16(2)7-8-22-20/h3,5,7-8,13-14,19H,4,6,9-12H2,1-2H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-chromen-2-yl)-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136538921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).