2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide

C10H19N3O2 — CID 63606570

IUPAC2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H19N3O2/c1-4-5-12-9(15)13-7-6-11-8(14)10(13,2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyZSVYSDUAWPLNPO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.32
Rot. Bonds2

About 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide

2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide (PubChem CID 63606570) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
PubChem CID63606570
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H19N3O2/c1-4-5-12-9(15)13-7-6-11-8(14)10(13,2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyZSVYSDUAWPLNPO-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide (CID 63606570) is 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
The InChIKey is ZSVYSDUAWPLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-12-9(15)13-7-6-11-8(14)10(13,2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 63606570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).