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

C15H30N4O2 — CID 61165020

IUPAC2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-5-6-17-12(20)11-18-7-9-19(10-8-18)14(21)13(16)15(2,3)4/h13H,5-11,16H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyFNBMHPCYRWLUBM-CYBMUJFWSA-N
MW298.43 g/mol
LogP0.03
Rot. Bonds5

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

2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 61165020) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
PubChem CID61165020
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-5-6-17-12(20)11-18-7-9-19(10-8-18)14(21)13(16)15(2,3)4/h13H,5-11,16H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyFNBMHPCYRWLUBM-CYBMUJFWSA-N
XLogP0.03
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
CID 119840188
2-[4-(2-propan-2-ylsulfonylpropanoyl)piperazin-1-yl]-N-propylacetamide
CID 55966532
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 119876865
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
(2R)-2-amino-3,3-dimethyl-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 113353381
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide (CID 61165020) is 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1.
What is the InChIKey of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is FNBMHPCYRWLUBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-6-17-12(20)11-18-7-9-19(10-8-18)14(21)13(16)15(2,3)4/h13H,5-11,16H2,1-4H3,(H,17,20)/t13-/m1/s1.
What are the key properties of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 298.43 g/mol, XLogP of 0.03, 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-propylacetamide is sourced from PubChem (CID 61165020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).