(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C14H27N3O — CID 104596814

IUPAC(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CCCCN2)CC1(C)C
InChIInChI=1S/C14H27N3O/c1-13(2)11-17(10-9-16(13)4)12(18)14(3)7-5-6-8-15-14/h15H,5-11H2,1-4H3
InChIKeySGTDHDXGOAYTOU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds1

About (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 104596814) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID104596814
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C)CCCCN2)CC1(C)C
InChIInChI=1S/C14H27N3O/c1-13(2)11-17(10-9-16(13)4)12(18)14(3)7-5-6-8-15-14/h15H,5-11H2,1-4H3
InChIKeySGTDHDXGOAYTOU-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596766
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536777
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596862
(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane
CID 144942230
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
CID 113430850
(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
CID 124691551
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 104596814) is (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C)CCCCN2)CC1(C)C.
What is the InChIKey of (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is SGTDHDXGOAYTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2)11-17(10-9-16(13)4)12(18)14(3)7-5-6-8-15-14/h15H,5-11H2,1-4H3.
What are the key properties of (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 104596814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).