[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone

C21H32N4O2 — CID 72907622

IUPAC[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(C4CCOCC4)C3)CC2)n1
InChIInChI=1S/C21H32N4O2/c1-17-4-2-6-20(22-17)23-10-12-24(13-11-23)21(26)18-5-3-9-25(16-18)19-7-14-27-15-8-19/h2,4,6,18-19H,3,5,7-16H2,1H3
InChIKeyRYEXYFFHNZLOIN-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.93
Rot. Bonds3

About [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone

[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone (PubChem CID 72907622) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone
PubChem CID72907622
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(C4CCOCC4)C3)CC2)n1
InChIInChI=1S/C21H32N4O2/c1-17-4-2-6-20(22-17)23-10-12-24(13-11-23)21(26)18-5-3-9-25(16-18)19-7-14-27-15-8-19/h2,4,6,18-19H,3,5,7-16H2,1H3
InChIKeyRYEXYFFHNZLOIN-UHFFFAOYSA-N
XLogP1.93
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide
CID 23626884
N-(4-butoxyphenyl)-4-[(3S)-3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]piperidine-1-carboxamide
CID 23626886
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
N,N-dimethyl-6-[4-(oxane-4-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 138385690
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone (CID 72907622) is [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CCCN(C4CCOCC4)C3)CC2)n1.
What is the InChIKey of [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone?
The InChIKey is RYEXYFFHNZLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-4-2-6-20(22-17)23-10-12-24(13-11-23)21(26)18-5-3-9-25(16-18)19-7-14-27-15-8-19/h2,4,6,18-19H,3,5,7-16H2,1H3.
What are the key properties of [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone?
[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone has a molecular weight of 372.51 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 72907622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).