tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate

C19H29N3O3 — CID 108899188

IUPACtert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCc1ccc(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14-5-7-15(8-6-14)13-20-17(23)21-16-9-11-22(12-10-16)18(24)25-19(2,3)4/h5-8,16H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyLQOFYDZYEHFWJB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 108899188) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
PubChem CID108899188
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCc1ccc(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14-5-7-15(8-6-14)13-20-17(23)21-16-9-11-22(12-10-16)18(24)25-19(2,3)4/h5-8,16H,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyLQOFYDZYEHFWJB-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]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-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
CID 108893156
tert-butyl 4-[3-(4-methylphenoxy)propylcarbamoylamino]piperidine-1-carboxylate
CID 108881535
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
tert-butyl 4-[[2-(4-methylphenyl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 51093785
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
ethyl 4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 38949283
tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 78889548

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate (CID 108899188) is tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate is Cc1ccc(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is LQOFYDZYEHFWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-5-7-15(8-6-14)13-20-17(23)21-16-9-11-22(12-10-16)18(24)25-19(2,3)4/h5-8,16H,9-13H2,1-4H3,(H2,20,21,23).
What are the key properties of tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 108899188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).