2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide

C19H30N4O2 — CID 119840188

IUPAC2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)17(20)18(25)23-11-9-22(10-12-23)14-16(24)21-13-15-7-5-4-6-8-15/h4-8,17H,9-14,20H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyNFRZVUFFKAVHJD-QGZVFWFLSA-N
MW346.48 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide

2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide (PubChem CID 119840188) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
PubChem CID119840188
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)17(20)18(25)23-11-9-22(10-12-23)14-16(24)21-13-15-7-5-4-6-8-15/h4-8,17H,9-14,20H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyNFRZVUFFKAVHJD-QGZVFWFLSA-N
XLogP0.82
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-benzylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 76892322
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
N-benzyl-2-[4-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperazin-1-yl]acetamide
CID 55543585
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55495610
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide (CID 119840188) is 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide is CC(C)(C)[C@H](N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide?
The InChIKey is NFRZVUFFKAVHJD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)17(20)18(25)23-11-9-22(10-12-23)14-16(24)21-13-15-7-5-4-6-8-15/h4-8,17H,9-14,20H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide?
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide has a molecular weight of 346.48 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 119840188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).