tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate

C22H35N3O3 — CID 141271601

IUPACtert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate
SMILESCC(C)Cc1ccc(C(C)C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H35N3O3/c1-16(2)15-18-7-9-19(10-8-18)17(3)20(26)23-25-13-11-24(12-14-25)21(27)28-22(4,5)6/h7-10,16-17H,11-15H2,1-6H3,(H,23,26)
InChIKeyQSNXGCPKMSZJAM-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate

tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate (PubChem CID 141271601) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate
PubChem CID141271601
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Nametert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate
SMILESCC(C)Cc1ccc(C(C)C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H35N3O3/c1-16(2)15-18-7-9-19(10-8-18)17(3)20(26)23-25-13-11-24(12-14-25)21(27)28-22(4,5)6/h7-10,16-17H,11-15H2,1-6H3,(H,23,26)
InChIKeyQSNXGCPKMSZJAM-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-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

Related Compounds

tert-butyl 4-(2-chloropropanoylamino)piperazine-1-carboxylate
CID 53273915
tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
CID 126578162
tert-butyl 4-[1,2-bis(4-methoxyphenyl)ethyl]piperazine-1-carboxylate;ethane
CID 143935572
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
CID 10062669
tert-butyl 4-[[2-cyano-5-(2-methylpropyl)phenyl]methyl]piperazine-1-carboxylate
CID 171779755
tert-butyl 4-[3-(4-chlorophenyl)-2-hydroxypropanoyl]piperazine-1-carboxylate
CID 118165563
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
tert-butyl 4-[[4-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]piperazine-1-carboxylate
CID 126540077
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
(2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]propanoic acid
CID 21345433

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate (CID 141271601) is tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate is CC(C)Cc1ccc(C(C)C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate?
The InChIKey is QSNXGCPKMSZJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16(2)15-18-7-9-19(10-8-18)17(3)20(26)23-25-13-11-24(12-14-25)21(27)28-22(4,5)6/h7-10,16-17H,11-15H2,1-6H3,(H,23,26).
What are the key properties of tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate?
tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate has a molecular weight of 389.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate is sourced from PubChem (CID 141271601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).