N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide

C16H33N3O — CID 168726966

IUPACN-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide
SMILESCN(C(=O)CCN1CCN(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H33N3O/c1-15(2,3)17(7)14(20)8-9-18-10-12-19(13-11-18)16(4,5)6/h8-13H2,1-7H3
InChIKeyGQNUVIFAVFSRBE-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.05
Rot. Bonds3

About N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide

N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide (PubChem CID 168726966) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide
PubChem CID168726966
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide
SMILESCN(C(=O)CCN1CCN(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H33N3O/c1-15(2,3)17(7)14(20)8-9-18-10-12-19(13-11-18)16(4,5)6/h8-13H2,1-7H3
InChIKeyGQNUVIFAVFSRBE-UHFFFAOYSA-N
XLogP2.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide?
The IUPAC name of N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide (CID 168726966) is N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide is CN(C(=O)CCN1CCN(C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide?
The InChIKey is GQNUVIFAVFSRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2,3)17(7)14(20)8-9-18-10-12-19(13-11-18)16(4,5)6/h8-13H2,1-7H3.
What are the key properties of N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide?
N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-tert-butylpiperazin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 168726966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).