(2R)-N-tert-butylpiperazine-2-carboxamide

C9H19N3O — CID 11789917

IUPAC(2R)-N-tert-butylpiperazine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CNCCN1
InChIInChI=1S/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyOEZDMLLCIUSINT-SSDOTTSWSA-N
MW185.27 g/mol
LogP-0.54
Rot. Bonds1

About (2R)-N-tert-butylpiperazine-2-carboxamide

(2R)-N-tert-butylpiperazine-2-carboxamide (PubChem CID 11789917) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-N-tert-butylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-tert-butylpiperazine-2-carboxamide
PubChem CID11789917
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2R)-N-tert-butylpiperazine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CNCCN1
InChIInChI=1S/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyOEZDMLLCIUSINT-SSDOTTSWSA-N
XLogP-0.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperazinone, 3,3-dimethyl-
CID 211157
N-butyl-2-(3-oxopiperazin-2-yl)acetamide
CID 2955610
Piperazine-2-carboxamide
CID 3019914
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
(3R)-3-methylpiperazin-2-one
CID 16213757
(R)-piperazine-2-carboxamide
CID 7006530
(S)-piperazine-2-carboxamide
CID 7009432
3-Methyl-2-ketopiperazine
CID 5106600
3,5,6-Trimethylpiperazin-2-one
CID 13125044
(S)-3-Methyl-2-ketopiperazine
CID 13190462
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
2-Methyl-2-(piperazin-1-yl)propanamide
CID 21748841

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-tert-butylpiperazine-2-carboxamide (CID 11789917) is (2R)-N-tert-butylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-tert-butylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-tert-butylpiperazine-2-carboxamide is CC(C)(C)NC(=O)[C@H]1CNCCN1.
What is the InChIKey of (2R)-N-tert-butylpiperazine-2-carboxamide?
The InChIKey is OEZDMLLCIUSINT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-N-tert-butylpiperazine-2-carboxamide?
(2R)-N-tert-butylpiperazine-2-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butylpiperazine-2-carboxamide is sourced from PubChem (CID 11789917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).