(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H27N3O — CID 114536777

IUPAC(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCCCN2)CC(C)N1C
InChIInChI=1S/C14H27N3O/c1-11-9-17(10-12(2)16(11)4)13(18)14(3)7-5-6-8-15-14/h11-12,15H,5-10H2,1-4H3
InChIKeyMZFNJGJVBKCMTB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds1

About (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114536777) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114536777
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2(C)CCCCN2)CC(C)N1C
InChIInChI=1S/C14H27N3O/c1-11-9-17(10-12(2)16(11)4)13(18)14(3)7-5-6-8-15-14/h11-12,15H,5-10H2,1-4H3
InChIKeyMZFNJGJVBKCMTB-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

(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596766
(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
CID 124691551
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596862
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114536777) is (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C2(C)CCCCN2)CC(C)N1C.
What is the InChIKey of (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is MZFNJGJVBKCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-9-17(10-12(2)16(11)4)13(18)14(3)7-5-6-8-15-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of (2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2-methylpiperidin-2-yl)-(3,4,5-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)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114536777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).