ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C12H27N3O — CID 170709333

IUPACethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC.CNC(=O)CN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N3O.C2H6/c1-9(2)13-6-4-12(5-7-13)8-10(14)11-3;1-2/h9H,4-8H2,1-3H3,(H,11,14);1-2H3
InChIKeyCDLKYCLTBKBMHI-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.78
Rot. Bonds3

About ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide

ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 170709333) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID170709333
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Nameethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC.CNC(=O)CN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N3O.C2H6/c1-9(2)13-6-4-12(5-7-13)8-10(14)11-3;1-2/h9H,4-8H2,1-3H3,(H,11,14);1-2H3
InChIKeyCDLKYCLTBKBMHI-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 170709333) is ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide is CC.CNC(=O)CN1CCN(C(C)C)CC1.
What is the InChIKey of ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is CDLKYCLTBKBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C2H6/c1-9(2)13-6-4-12(5-7-13)8-10(14)11-3;1-2/h9H,4-8H2,1-3H3,(H,11,14);1-2H3.
What are the key properties of ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 170709333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).