tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate

C23H35N5O4 — CID 53367705

IUPACtert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCC(NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H35N5O4/c1-18(20(29)26-12-16-28(17-13-26)22(31)32-23(2,3)4)24-21(30)27-14-10-25(11-15-27)19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3,(H,24,30)
InChIKeySYRGENFKTNXVMH-UHFFFAOYSA-N
MW445.56 g/mol
LogP1.99
Rot. Bonds3

About tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate (PubChem CID 53367705) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
PubChem CID53367705
Molecular FormulaC23H35N5O4
Molecular Weight445.56 g/mol
Exact Mass445.27
IUPAC Nametert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCC(NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H35N5O4/c1-18(20(29)26-12-16-28(17-13-26)22(31)32-23(2,3)4)24-21(30)27-14-10-25(11-15-27)19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3,(H,24,30)
InChIKeySYRGENFKTNXVMH-UHFFFAOYSA-N
XLogP1.99
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]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

N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560389
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
ethyl 4-[(2R)-2-[[4-(4-chlorophenyl)piperazine-1-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 96564180
tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 44549256
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
CID 110348001
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
CID 110348003
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate (CID 53367705) is tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate is CC(NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is SYRGENFKTNXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-18(20(29)26-12-16-28(17-13-26)22(31)32-23(2,3)4)24-21(30)27-14-10-25(11-15-27)19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3,(H,24,30).
What are the key properties of tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 445.56 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 53367705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).