[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

C13H25N3O2 — CID 119838507

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCOCCN1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C13H25N3O2/c1-18-11-10-15-6-8-16(9-7-15)13(17)12-4-2-3-5-14-12/h12,14H,2-11H2,1H3/t12-/m1/s1
InChIKeyHIOFZLBOWCIYRA-GFCCVEGCSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds4

About [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 119838507) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID119838507
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCOCCN1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C13H25N3O2/c1-18-11-10-15-6-8-16(9-7-15)13(17)12-4-2-3-5-14-12/h12,14H,2-11H2,1H3/t12-/m1/s1
InChIKeyHIOFZLBOWCIYRA-GFCCVEGCSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-thiomorpholin-3-ylmethanone
CID 82909244
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119832969
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 114428564
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838539
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 54874273
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119836395
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913945

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 119838507) is [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone is COCCN1CCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is HIOFZLBOWCIYRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-18-11-10-15-6-8-16(9-7-15)13(17)12-4-2-3-5-14-12/h12,14H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 119838507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).