(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone

C11H21N3O — CID 63102910

IUPAC(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
SMILESCC1CCCN(C(=O)C2CNCCN2)C1
InChIInChI=1S/C11H21N3O/c1-9-3-2-6-14(8-9)11(15)10-7-12-4-5-13-10/h9-10,12-13H,2-8H2,1H3
InChIKeyITURHKRZRXDNOJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.19
Rot. Bonds1

About (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone

(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone (PubChem CID 63102910) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
PubChem CID63102910
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
SMILESCC1CCCN(C(=O)C2CNCCN2)C1
InChIInChI=1S/C11H21N3O/c1-9-3-2-6-14(8-9)11(15)10-7-12-4-5-13-10/h9-10,12-13H,2-8H2,1H3
InChIKeyITURHKRZRXDNOJ-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
CID 170899766
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
(2,4-dimethylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63103466
(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
CID 63621732
(5-methylpiperidin-2-yl)-pyrrolidin-1-ylmethanone
CID 19909692
(2-cyclopentylpyrrolidin-1-yl)-piperazin-2-ylmethanone
CID 63103464
[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
CID 63103994

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone?
The IUPAC name of (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone (CID 63102910) is (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone is CC1CCCN(C(=O)C2CNCCN2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone?
The InChIKey is ITURHKRZRXDNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-3-2-6-14(8-9)11(15)10-7-12-4-5-13-10/h9-10,12-13H,2-8H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone?
(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone has a molecular weight of 211.31 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-piperazin-2-ylmethanone is sourced from PubChem (CID 63102910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).