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

C14H27N5O — CID 166945971

IUPAC(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)C3CN(N)C3)CC2)CC1
InChIInChI=1S/C14H27N5O/c1-16-4-2-13(3-5-16)17-6-8-18(9-7-17)14(20)12-10-19(15)11-12/h12-13H,2-11,15H2,1H3
InChIKeyLPPYHIJPCSZACF-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.97
Rot. Bonds2

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

(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 166945971) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID166945971
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)C3CN(N)C3)CC2)CC1
InChIInChI=1S/C14H27N5O/c1-16-4-2-13(3-5-16)17-6-8-18(9-7-17)14(20)12-10-19(15)11-12/h12-13H,2-11,15H2,1H3
InChIKeyLPPYHIJPCSZACF-UHFFFAOYSA-N
XLogP-0.97
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
[3-(methylamino)cyclobutyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945999
[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945972
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
ethane;4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 143900234
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
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
[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

Frequently Asked Questions

What is the IUPAC name of (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 166945971) is (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CN1CCC(N2CCN(C(=O)C3CN(N)C3)CC2)CC1.
What is the InChIKey of (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is LPPYHIJPCSZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-16-4-2-13(3-5-16)17-6-8-18(9-7-17)14(20)12-10-19(15)11-12/h12-13H,2-11,15H2,1H3.
What are the key properties of (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 281.40 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).