(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C15H28N4O — CID 169029279

IUPAC(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)C3CN(C)C3)CC2)CC1
InChIInChI=1S/C15H28N4O/c1-16-5-3-14(4-6-16)18-7-9-19(10-8-18)15(20)13-11-17(2)12-13/h13-14H,3-12H2,1-2H3
InChIKeyDJCRDJYNGSJQFI-UHFFFAOYSA-N
MW280.42 g/mol
LogP-0.21
Rot. Bonds2

About (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 169029279) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID169029279
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)C3CN(C)C3)CC2)CC1
InChIInChI=1S/C15H28N4O/c1-16-5-3-14(4-6-16)18-7-9-19(10-8-18)15(20)13-11-17(2)12-13/h13-14H,3-12H2,1-2H3
InChIKeyDJCRDJYNGSJQFI-UHFFFAOYSA-N
XLogP-0.21
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
CID 169029207
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945972
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
CID 168873592
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166948270

Frequently Asked Questions

What is the IUPAC name of (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 169029279) is (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CN1CCC(N2CCN(C(=O)C3CN(C)C3)CC2)CC1.
What is the InChIKey of (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is DJCRDJYNGSJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-16-5-3-14(4-6-16)18-7-9-19(10-8-18)15(20)13-11-17(2)12-13/h13-14H,3-12H2,1-2H3.
What are the key properties of (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 280.42 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 169029279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).