2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide

C13H27N3O — CID 82705954

IUPAC2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCNC[C@@H]1C)C(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)16(11(3)4)13(17)9-15-7-6-14-8-12(15)5/h10-12,14H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyOOQBHAHDUXNPEH-LBPRGKRZSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds4

About 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 82705954) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID82705954
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCNC[C@@H]1C)C(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)16(11(3)4)13(17)9-15-7-6-14-8-12(15)5/h10-12,14H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyOOQBHAHDUXNPEH-LBPRGKRZSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
ethyl 2-(2-methylpiperazin-1-yl)acetate
CID 62672980
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
N-ethyl-2-(2-methylpiperazin-1-yl)-N-phenylacetamide;hydrochloride
CID 119916315
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 55104253
(2S)-2-methyl-1-(2-methylprop-2-enyl)piperazine
CID 82755794
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
CID 82760949
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 82705954) is 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCNC[C@@H]1C)C(C)C.
What is the InChIKey of 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is OOQBHAHDUXNPEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)16(11(3)4)13(17)9-15-7-6-14-8-12(15)5/h10-12,14H,6-9H2,1-5H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 82705954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).