N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide

C10H21N3O — CID 104976767

IUPACN,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
SMILESC[C@H]1CN(CCC(=O)N(C)C)CCN1
InChIInChI=1S/C10H21N3O/c1-9-8-13(7-5-11-9)6-4-10(14)12(2)3/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyYYUVDBRNPVEQFJ-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds3

About N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide

N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide (PubChem CID 104976767) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
PubChem CID104976767
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
SMILESC[C@H]1CN(CCC(=O)N(C)C)CCN1
InChIInChI=1S/C10H21N3O/c1-9-8-13(7-5-11-9)6-4-10(14)12(2)3/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyYYUVDBRNPVEQFJ-VIFPVBQESA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide
CID 63873110
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
CID 104976946
N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
CID 95436399
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62371563
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 136579508
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
CID 79355818

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide (CID 104976767) is N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide is C[C@H]1CN(CCC(=O)N(C)C)CCN1.
What is the InChIKey of N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide?
The InChIKey is YYUVDBRNPVEQFJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-9-8-13(7-5-11-9)6-4-10(14)12(2)3/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide?
N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide has a molecular weight of 199.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 104976767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).