tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate

C20H31N3O3 — CID 46262425

IUPACtert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-14(2)15-6-8-16(9-7-15)21-18(24)23-12-10-17(11-13-23)22-19(25)26-20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyDPHLVISLMCYZRX-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.33
Rot. Bonds3

About tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate (PubChem CID 46262425) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
PubChem CID46262425
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-14(2)15-6-8-16(9-7-15)21-18(24)23-12-10-17(11-13-23)22-19(25)26-20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyDPHLVISLMCYZRX-UHFFFAOYSA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate 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 N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[(3R)-1-[(4-iodophenyl)carbamoyl]piperidin-3-yl]carbamate
CID 165429722
tert-butyl N-[1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidin-4-yl]carbamate
CID 143312029
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]carbamate
CID 86992667
tert-butyl N-[1-[(4-bromo-5-chloro-2-methylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 171916671
tert-butyl N-[1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841773
sodium (2S)-3-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]amino]butanoate
CID 70084946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate (CID 46262425) is tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate is CC(C)c1ccc(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
The InChIKey is DPHLVISLMCYZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)15-6-8-16(9-7-15)21-18(24)23-12-10-17(11-13-23)22-19(25)26-20(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 46262425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).