N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide

C16H33N3O2 — CID 124729725

IUPACN-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O2/c1-6-13(2)17-15(21)12-19-9-7-18(8-10-19)11-14(20)16(3,4)5/h13-14,20H,6-12H2,1-5H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyGPVXDWNAHIKQRP-KGLIPLIRSA-N
MW299.46 g/mol
LogP0.93
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide

N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide (PubChem CID 124729725) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
PubChem CID124729725
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O2/c1-6-13(2)17-15(21)12-19-9-7-18(8-10-19)11-14(20)16(3,4)5/h13-14,20H,6-12H2,1-5H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyGPVXDWNAHIKQRP-KGLIPLIRSA-N
XLogP0.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-butan-2-yl-2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 111487266
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 134045373
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95308961
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94007632

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide (CID 124729725) is N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide is CC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)C(C)(C)C)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
The InChIKey is GPVXDWNAHIKQRP-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-13(2)17-15(21)12-19-9-7-18(8-10-19)11-14(20)16(3,4)5/h13-14,20H,6-12H2,1-5H3,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide has a molecular weight of 299.46 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 124729725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).