N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide

C12H25N3O2 — CID 79159489

IUPACN-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide
SMILESCCN(C)C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H25N3O2/c1-5-13(4)11(16)15-8-6-14(7-9-15)10-12(2,3)17/h17H,5-10H2,1-4H3
InChIKeyDHWZTLYNQDYIMP-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.45
Rot. Bonds3

About N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide

N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide (PubChem CID 79159489) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide
PubChem CID79159489
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide
SMILESCCN(C)C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H25N3O2/c1-5-13(4)11(16)15-8-6-14(7-9-15)10-12(2,3)17/h17H,5-10H2,1-4H3
InChIKeyDHWZTLYNQDYIMP-UHFFFAOYSA-N
XLogP0.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82689328
4-(3-amino-2-methylpropyl)-N-ethyl-N-methyl-1,4-diazepane-1-carboxamide
CID 79159522
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]but-2-yn-1-one
CID 106741463
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
N,4-diethyl-N,4-dimethylpiperidine-1-carboxamide
CID 116655856
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
CID 81267870
N,2-diethyl-N-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 166144244
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
CID 77032995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide (CID 79159489) is N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide is CCN(C)C(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is DHWZTLYNQDYIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-13(4)11(16)15-8-6-14(7-9-15)10-12(2,3)17/h17H,5-10H2,1-4H3.
What are the key properties of N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide?
N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 79159489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).