bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one

C26H52N6O3 — CID 171515285

IUPACbis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CC(=O)NC(C)C1.CC(C)CN1CC(=O)NC(C)C1.CC(C)CN1CCNC(=O)C1
InChIInChI=1S/2C9H18N2O.C8H16N2O/c2*1-7(2)4-11-5-8(3)10-9(12)6-11;1-7(2)5-10-4-3-9-8(11)6-10/h2*7-8H,4-6H2,1-3H3,(H,10,12);7H,3-6H2,1-2H3,(H,9,11)
InChIKeyDYDLDUWTCJRUSN-UHFFFAOYSA-N
MW496.74 g/mol
LogP1.00
Rot. Bonds6

About bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one

bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one (PubChem CID 171515285) has the molecular formula C26H52N6O3 and a molecular weight of 496.74 g/mol. Its IUPAC name is bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Namebis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
PubChem CID171515285
Molecular FormulaC26H52N6O3
Molecular Weight496.74 g/mol
Exact Mass496.41
IUPAC Namebis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CC(=O)NC(C)C1.CC(C)CN1CC(=O)NC(C)C1.CC(C)CN1CCNC(=O)C1
InChIInChI=1S/2C9H18N2O.C8H16N2O/c2*1-7(2)4-11-5-8(3)10-9(12)6-11;1-7(2)5-10-4-3-9-8(11)6-10/h2*7-8H,4-6H2,1-3H3,(H,10,12);7H,3-6H2,1-2H3,(H,9,11)
InChIKeyDYDLDUWTCJRUSN-UHFFFAOYSA-N
XLogP1.00
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.74
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
(6R)-4-ethyl-6-methylpiperazin-2-one
CID 171516065
4-ethyl-6-methylpiperazin-2-one
CID 89081094
4-[4-(dimethylamino)-2-hydroxybutyl]piperazin-2-one
CID 67598675
6-methyl-4-propylpiperazin-2-one
CID 129133704
4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-2-one
CID 78782890
4-(3-methyl-5-oxopiperazin-1-yl)butanenitrile
CID 130921073
4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
CID 126790707
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
CID 128702306
4-(aminomethyl)piperazin-2-one
CID 170083985
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664

Frequently Asked Questions

What is the IUPAC name of bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one?
The IUPAC name of bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one (CID 171515285) is bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one is CC(C)CN1CC(=O)NC(C)C1.CC(C)CN1CC(=O)NC(C)C1.CC(C)CN1CCNC(=O)C1.
What is the InChIKey of bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one?
The InChIKey is DYDLDUWTCJRUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O.C8H16N2O/c2*1-7(2)4-11-5-8(3)10-9(12)6-11;1-7(2)5-10-4-3-9-8(11)6-10/h2*7-8H,4-6H2,1-3H3,(H,10,12);7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one?
bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one has a molecular weight of 496.74 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 171515285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).