6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one

C18H29N3O — CID 134907780

IUPAC6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one
SMILESCC(C)(C)NCC1(C)CN(c2ccccc2)C(C)(C)C(=O)N1
InChIInChI=1S/C18H29N3O/c1-16(2,3)19-12-18(6)13-21(14-10-8-7-9-11-14)17(4,5)15(22)20-18/h7-11,19H,12-13H2,1-6H3,(H,20,22)
InChIKeyHAQHOVOHLLAMSI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.55
Rot. Bonds3

About 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one

6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one (PubChem CID 134907780) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one
PubChem CID134907780
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one
SMILESCC(C)(C)NCC1(C)CN(c2ccccc2)C(C)(C)C(=O)N1
InChIInChI=1S/C18H29N3O/c1-16(2,3)19-12-18(6)13-21(14-10-8-7-9-11-14)17(4,5)15(22)20-18/h7-11,19H,12-13H2,1-6H3,(H,20,22)
InChIKeyHAQHOVOHLLAMSI-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one?
The IUPAC name of 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one (CID 134907780) is 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one?
The canonical SMILES for 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one is CC(C)(C)NCC1(C)CN(c2ccccc2)C(C)(C)C(=O)N1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one?
The InChIKey is HAQHOVOHLLAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-16(2,3)19-12-18(6)13-21(14-10-8-7-9-11-14)17(4,5)15(22)20-18/h7-11,19H,12-13H2,1-6H3,(H,20,22).
What are the key properties of 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one?
6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one has a molecular weight of 303.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-3,3,6-trimethyl-4-phenylpiperazin-2-one is sourced from PubChem (CID 134907780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).