4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide

C12H25N3O — CID 113074849

IUPAC4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)13-11(16)14-6-8-15(9-7-14)12(3,4)5/h10H,6-9H2,1-5H3,(H,13,16)
InChIKeyVOVHHIUWQFOABF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds1

About 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide

4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 113074849) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID113074849
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)13-11(16)14-6-8-15(9-7-14)12(3,4)5/h10H,6-9H2,1-5H3,(H,13,16)
InChIKeyVOVHHIUWQFOABF-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
CID 58525046
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
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CID 113073717

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide (CID 113074849) is 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is VOVHHIUWQFOABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)13-11(16)14-6-8-15(9-7-14)12(3,4)5/h10H,6-9H2,1-5H3,(H,13,16).
What are the key properties of 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide?
4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113074849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).