tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate

C23H33N3O4 — CID 45280924

IUPACtert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-15-11-17(12-16-26)20(27)24-19-9-7-18(8-10-19)21(28)25-13-5-4-6-14-25/h7-10,17H,4-6,11-16H2,1-3H3,(H,24,27)
InChIKeyVICNPEWUIYASSM-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 45280924) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID45280924
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-15-11-17(12-16-26)20(27)24-19-9-7-18(8-10-19)21(28)25-13-5-4-6-14-25/h7-10,17H,4-6,11-16H2,1-3H3,(H,24,27)
InChIKeyVICNPEWUIYASSM-UHFFFAOYSA-N
XLogP3.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-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 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 45280924) is tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is VICNPEWUIYASSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-23(2,3)30-22(29)26-15-11-17(12-16-26)20(27)24-19-9-7-18(8-10-19)21(28)25-13-5-4-6-14-25/h7-10,17H,4-6,11-16H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 45280924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).