ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

C13H29N3O — CID 178091821

IUPACethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCC.CC(C)C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C11H23N3O.C2H6/c1-10(2)11(15)12-4-5-14-8-6-13(3)7-9-14;1-2/h10H,4-9H2,1-3H3,(H,12,15);1-2H3
InChIKeyCPPPXIJPZRMURB-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.03
Rot. Bonds4

About ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 178091821) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID178091821
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Nameethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCC.CC(C)C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C11H23N3O.C2H6/c1-10(2)11(15)12-4-5-14-8-6-13(3)7-9-14;1-2/h10H,4-9H2,1-3H3,(H,12,15);1-2H3
InChIKeyCPPPXIJPZRMURB-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
CID 140937076
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
CID 170603278
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide
CID 82163304

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 178091821) is ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is CC.CC(C)C(=O)NCCN1CCN(C)CC1.
What is the InChIKey of ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is CPPPXIJPZRMURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2H6/c1-10(2)11(15)12-4-5-14-8-6-13(3)7-9-14;1-2/h10H,4-9H2,1-3H3,(H,12,15);1-2H3.
What are the key properties of ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 178091821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).