tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate

C20H31N3O3 — CID 91650332

IUPACtert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)C(c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-15-14-22(12-13-23(15)19(25)26-20(2,3)4)18(24)17(21(5)6)16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t15-,17?/m1/s1
InChIKeyPEWFCLKPRGGUKZ-LDCVWXEPSA-N
MW361.49 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate

tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate (PubChem CID 91650332) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate
PubChem CID91650332
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)C(c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O3/c1-15-14-22(12-13-23(15)19(25)26-20(2,3)4)18(24)17(21(5)6)16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t15-,17?/m1/s1
InChIKeyPEWFCLKPRGGUKZ-LDCVWXEPSA-N
XLogP2.76
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate (CID 91650332) is tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)C(c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is PEWFCLKPRGGUKZ-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15-14-22(12-13-23(15)19(25)26-20(2,3)4)18(24)17(21(5)6)16-10-8-7-9-11-16/h7-11,15,17H,12-14H2,1-6H3/t15-,17?/m1/s1.
What are the key properties of tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate?
tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-[2-(dimethylamino)-2-phenylacetyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 91650332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).