[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone

C12H23N3O — CID 82755260

IUPAC[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCNC[C@@H]2C)CC1
InChIInChI=1S/C12H23N3O/c1-10-3-6-14(7-4-10)12(16)15-8-5-13-9-11(15)2/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyLBLWSKBENFBGIW-NSHDSACASA-N
MW225.34 g/mol
LogP1.13
Rot. Bonds

About [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone

[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 82755260) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID82755260
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCNC[C@@H]2C)CC1
InChIInChI=1S/C12H23N3O/c1-10-3-6-14(7-4-10)12(16)15-8-5-13-9-11(15)2/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyLBLWSKBENFBGIW-NSHDSACASA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79162942
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 102883074
7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
3-methyl-1-[(2S)-2-methylpiperazin-1-yl]but-2-en-1-one
CID 82704652
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 82755260) is [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCNC[C@@H]2C)CC1.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LBLWSKBENFBGIW-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-3-6-14(7-4-10)12(16)15-8-5-13-9-11(15)2/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone?
[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 82755260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).