ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone

C13H27N3O — CID 176554643

IUPACethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCC.CN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O.C2H6/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyVZBWUPABKRPDEL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds1

About ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone

ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone (PubChem CID 176554643) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Nameethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
PubChem CID176554643
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Nameethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCC.CN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O.C2H6/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;1-2/h10,12H,2-9H2,1H3;1-2H3
InChIKeyVZBWUPABKRPDEL-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 160696762
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone (CID 176554643) is ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone is CC.CN1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
The InChIKey is VZBWUPABKRPDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C2H6/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;1-2/h10,12H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone has a molecular weight of 241.38 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 176554643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).