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

C10H21N3O — CID 65460942

IUPAC2,2-dimethyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H21N3O/c1-4-5-12-9(14)13-7-6-11-8-10(13,2)3/h11H,4-8H2,1-3H3,(H,12,14)
InChIKeyOQXALGSXTCCDCK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds2

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

2,2-dimethyl-N-propylpiperazine-1-carboxamide (PubChem CID 65460942) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propylpiperazine-1-carboxamide
PubChem CID65460942
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,2-dimethyl-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H21N3O/c1-4-5-12-9(14)13-7-6-11-8-10(13,2)3/h11H,4-8H2,1-3H3,(H,12,14)
InChIKeyOQXALGSXTCCDCK-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propylpiperazine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-propylpiperazine-1-carboxamide (CID 65460942) is 2,2-dimethyl-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propylpiperazine-1-carboxamide?
The InChIKey is OQXALGSXTCCDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-5-12-9(14)13-7-6-11-8-10(13,2)3/h11H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-propylpiperazine-1-carboxamide?
2,2-dimethyl-N-propylpiperazine-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 65460942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).