N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide

C11H23N3O — CID 115569927

IUPACN-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-4-12-11(15)14-7-5-13(6-8-14)9-10(2)3/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyVSIXXZWQFKEQJC-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds3

About N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide

N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 115569927) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID115569927
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-4-12-11(15)14-7-5-13(6-8-14)9-10(2)3/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyVSIXXZWQFKEQJC-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethylpiperazine-1-carboxamide
CID 22309084
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-(2-cyclopentylethyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 78892600
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(2-methylpropyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]piperazine-1-carboxamide
CID 122156185
3-methoxy-4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 103159285
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid
CID 107827567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide (CID 115569927) is N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is VSIXXZWQFKEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-12-11(15)14-7-5-13(6-8-14)9-10(2)3/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide?
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 115569927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).