N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide

C12H25N3O2 — CID 106147925

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
SMILESCC(C)(CCO)CNC(=O)CN1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3-8-16)10-14-11(17)9-15-6-4-13-5-7-15/h13,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyYQRFIPVKVMKPNR-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.58
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide (PubChem CID 106147925) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
PubChem CID106147925
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
SMILESCC(C)(CCO)CNC(=O)CN1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3-8-16)10-14-11(17)9-15-6-4-13-5-7-15/h13,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyYQRFIPVKVMKPNR-UHFFFAOYSA-N
XLogP-0.58
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-piperazin-1-ylacetamide
CID 61250159
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 103772955
N-acetyl-2-piperazin-1-ylacetamide
CID 67050352
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
CID 11724349
N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
CID 106148888
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide (CID 106147925) is N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide is CC(C)(CCO)CNC(=O)CN1CCNCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide?
The InChIKey is YQRFIPVKVMKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3-8-16)10-14-11(17)9-15-6-4-13-5-7-15/h13,16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 106147925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).