1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone

C15H29N3O2 — CID 178115862

IUPAC1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-13(2)20-12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3
InChIKeyDVTYRSROSSWYQJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.65
Rot. Bonds4

About 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 178115862) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID178115862
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-13(2)20-12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3
InChIKeyDVTYRSROSSWYQJ-UHFFFAOYSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97491891
(4-Cyclopentylpiperazin-1-yl)-(2,4-dimethylmorpholin-2-yl)methanone
CID 110267596
(4aR,7aS)-6-(1-acetylpiperidin-4-yl)-4-(2-methoxyethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775127
2-(2,5-Dimethylmorpholin-4-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 45811018
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
2-butan-2-yloxy-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylacetamide
CID 75387450
1-(4-{[1-(2-Methoxyacetyl)-4-piperidyl]oxy}piperidino)-1-propanone
CID 91916305
4-[2-[(2S)-4-methyl-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 164633272
1-[4-(Morpholin-4-yl)piperidin-1-yl]ethan-1-one
CID 13398810
4-Ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione
CID 3040601
N-methyl-2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53606438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 178115862) is 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is DVTYRSROSSWYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(2)20-12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 283.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 178115862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).