cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone

C17H25N3O — CID 71682493

IUPACcyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(c2ccccn2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H25N3O/c1-14-13-19(16-9-5-6-10-18-16)11-12-20(14)17(21)15-7-3-2-4-8-15/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3/t14-/m1/s1
InChIKeyQGPFHBIAXJIIBS-CQSZACIVSA-N
MW287.41 g/mol
LogP2.70
Rot. Bonds2

About cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone

cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (PubChem CID 71682493) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
PubChem CID71682493
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(c2ccccn2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H25N3O/c1-14-13-19(16-9-5-6-10-18-16)11-12-20(14)17(21)15-7-3-2-4-8-15/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3/t14-/m1/s1
InChIKeyQGPFHBIAXJIIBS-CQSZACIVSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95149695
(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanone
CID 47884292
cyclopentyl-[2-methyl-4-[6-(3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83287920
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
cyclobutyl-[(2S)-2-methyl-4-[6-(2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 93340681
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-cyclohexylmethanone
CID 3550657
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (CID 71682493) is cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is C[C@@H]1CN(c2ccccn2)CCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The InChIKey is QGPFHBIAXJIIBS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-13-19(16-9-5-6-10-18-16)11-12-20(14)17(21)15-7-3-2-4-8-15/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3/t14-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 71682493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).