tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate

C21H32N2O3 — CID 9155664

IUPACtert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
SMILESCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H32N2O3/c1-6-18(16-9-7-15(2)8-10-16)22-19(24)17-11-13-23(14-12-17)20(25)26-21(3,4)5/h7-10,17-18H,6,11-14H2,1-5H3,(H,22,24)/t18-/m0/s1
InChIKeyQBXVSTLJHMWUIT-SFHVURJKSA-N
MW360.50 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 9155664) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
PubChem CID9155664
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nametert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
SMILESCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H32N2O3/c1-6-18(16-9-7-15(2)8-10-16)22-19(24)17-11-13-23(14-12-17)20(25)26-21(3,4)5/h7-10,17-18H,6,11-14H2,1-5H3,(H,22,24)/t18-/m0/s1
InChIKeyQBXVSTLJHMWUIT-SFHVURJKSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
tert-butyl 4-[2-hydroxy-1-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 143382792
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate (CID 9155664) is tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate is CC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C)cc1.
What is the InChIKey of tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is QBXVSTLJHMWUIT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-6-18(16-9-7-15(2)8-10-16)22-19(24)17-11-13-23(14-12-17)20(25)26-21(3,4)5/h7-10,17-18H,6,11-14H2,1-5H3,(H,22,24)/t18-/m0/s1.
What are the key properties of tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 9155664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).