tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

C23H29N3O3S — CID 73388329

IUPACtert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cncs3)cc2)C2CC2)CC1
InChIInChI=1S/C23H29N3O3S/c1-23(2,3)29-22(28)25-12-10-19(11-13-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-14-24-15-30-20/h4-7,14-15,18-19H,8-13H2,1-3H3
InChIKeyXHAMGIMAFCVDRW-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.81
Rot. Bonds4

About tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 73388329) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID73388329
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Nametert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cncs3)cc2)C2CC2)CC1
InChIInChI=1S/C23H29N3O3S/c1-23(2,3)29-22(28)25-12-10-19(11-13-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-14-24-15-30-20/h4-7,14-15,18-19H,8-13H2,1-3H3
InChIKeyXHAMGIMAFCVDRW-UHFFFAOYSA-N
XLogP4.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]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

Related Compounds

tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
CID 118300930
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916
tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
CID 86686152
tert-butyl 4-[cyclopropyl-[4-[4-(methylsulfamoyl)phenyl]benzoyl]amino]piperidine-1-carboxylate
CID 118300931
tert-butyl 4-[(S)-1,3-thiazol-5-ylmethylsulfinyl]piperidine-1-carboxylate
CID 97171133
tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen
CID 144563910
tert-butyl 4-[cyclopropyl-[2-[4-[2-[(2S)-2-iodopyrrolidin-1-yl]-2-oxoethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 90070744
tert-butyl 4-[[2-[4-[2-(2-aminopyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrimidine-5-carbonyl]-cyclopropylamino]piperidine-1-carboxylate
CID 123676447
tert-butyl 4-[cyclopropyl-[2-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 90070664
tert-butyl 4-(1,3-thiazol-5-ylmethylsulfinylmethyl)piperidine-1-carboxylate
CID 71630499
tert-butyl 4-[[(S)-1,3-thiazol-5-ylmethylsulfinyl]methyl]piperidine-1-carboxylate
CID 97171623

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (CID 73388329) is tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3cncs3)cc2)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is XHAMGIMAFCVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-23(2,3)29-22(28)25-12-10-19(11-13-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-14-24-15-30-20/h4-7,14-15,18-19H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 427.57 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73388329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).