2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide

C9H19N3O — CID 22876500

IUPAC2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide
SMILESCC(C)(C[C@@H]1CNCCN1)C(N)=O
InChIInChI=1S/C9H19N3O/c1-9(2,8(10)13)5-7-6-11-3-4-12-7/h7,11-12H,3-6H2,1-2H3,(H2,10,13)/t7-/m1/s1
InChIKeyDYHJKPNPHFCYTH-SSDOTTSWSA-N
MW185.27 g/mol
LogP-0.55
Rot. Bonds3

About 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide

2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide (PubChem CID 22876500) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide
PubChem CID22876500
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide
SMILESCC(C)(C[C@@H]1CNCCN1)C(N)=O
InChIInChI=1S/C9H19N3O/c1-9(2,8(10)13)5-7-6-11-3-4-12-7/h7,11-12H,3-6H2,1-2H3,(H2,10,13)/t7-/m1/s1
InChIKeyDYHJKPNPHFCYTH-SSDOTTSWSA-N
XLogP-0.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide (CID 22876500) is 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide is CC(C)(C[C@@H]1CNCCN1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide?
The InChIKey is DYHJKPNPHFCYTH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,8(10)13)5-7-6-11-3-4-12-7/h7,11-12H,3-6H2,1-2H3,(H2,10,13)/t7-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide?
2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide is sourced from PubChem (CID 22876500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).