[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C21H25N3O2 — CID 39991441

IUPAC[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C21H25N3O2/c1-15(2)17-6-8-18(9-7-17)20(25)23-10-12-24(13-11-23)21(26)19-5-4-16(3)22-14-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyOZJJCVGWCHFXLM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.11
Rot. Bonds3

About [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 39991441) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID39991441
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C21H25N3O2/c1-15(2)17-6-8-18(9-7-17)20(25)23-10-12-24(13-11-23)21(26)19-5-4-16(3)22-14-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyOZJJCVGWCHFXLM-UHFFFAOYSA-N
XLogP3.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 30290633
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46464002
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
(4-methylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 71396472
2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]ethanethioamide
CID 55203104
[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126812437
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 39991441) is [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cn1.
What is the InChIKey of [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is OZJJCVGWCHFXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)17-6-8-18(9-7-17)20(25)23-10-12-24(13-11-23)21(26)19-5-4-16(3)22-14-19/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 351.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 39991441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).