4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide

C13H25N3O2 — CID 110810662

IUPAC4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-5-6-14-12(18)16-9-7-15(8-10-16)11(17)13(2,3)4/h5-10H2,1-4H3,(H,14,18)
InChIKeyHMCHWVZKGWCEAL-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.30
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide

4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110810662) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110810662
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-5-6-14-12(18)16-9-7-15(8-10-16)11(17)13(2,3)4/h5-10H2,1-4H3,(H,14,18)
InChIKeyHMCHWVZKGWCEAL-UHFFFAOYSA-N
XLogP1.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 86998998
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
N-butylaziridine-1-carboxamide
CID 55206947
N-propylmorpholine-4-carboxamide
CID 3410822
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
CID 60969051

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide (CID 110810662) is 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is HMCHWVZKGWCEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-6-14-12(18)16-9-7-15(8-10-16)11(17)13(2,3)4/h5-10H2,1-4H3,(H,14,18).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide?
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110810662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).