2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone

C13H23N3O3 — CID 81128709

IUPAC2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C13H23N3O3/c1-19-10-12(17)15-5-7-16(8-6-15)13(18)11-3-2-4-14-9-11/h11,14H,2-10H2,1H3/t11-/m1/s1
InChIKeyBMACXEMJOWSUEO-LLVKDONJSA-N
MW269.34 g/mol
LogP-0.70
Rot. Bonds3

About 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 81128709) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID81128709
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C13H23N3O3/c1-19-10-12(17)15-5-7-16(8-6-15)13(18)11-3-2-4-14-9-11/h11,14H,2-10H2,1H3/t11-/m1/s1
InChIKeyBMACXEMJOWSUEO-LLVKDONJSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119282220
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone (CID 81128709) is 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(C(=O)[C@@H]2CCCNC2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is BMACXEMJOWSUEO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-10-12(17)15-5-7-16(8-6-15)13(18)11-3-2-4-14-9-11/h11,14H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 269.34 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 81128709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).