N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide

C14H21N3O — CID 104976872

IUPACN-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)NCc2ccccc2)CCN1
InChIInChI=1S/C14H21N3O/c1-12-10-17(8-7-15-12)11-14(18)16-9-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyWQQDKGVYRUCILE-LBPRGKRZSA-N
MW247.34 g/mol
LogP0.60
Rot. Bonds4

About N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide

N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104976872) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
PubChem CID104976872
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)NCc2ccccc2)CCN1
InChIInChI=1S/C14H21N3O/c1-12-10-17(8-7-15-12)11-14(18)16-9-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyWQQDKGVYRUCILE-LBPRGKRZSA-N
XLogP0.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
N'-[2-(3-methylpiperazin-1-yl)acetyl]benzohydrazide
CID 65449993
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide (CID 104976872) is N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide is C[C@H]1CN(CC(=O)NCc2ccccc2)CCN1.
What is the InChIKey of N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is WQQDKGVYRUCILE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12-10-17(8-7-15-12)11-14(18)16-9-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104976872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).