tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate

C22H32N2O3 — CID 24625912

IUPACtert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(C(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1
InChIInChI=1S/C22H32N2O3/c1-15-5-7-16(8-6-15)19(17-9-10-17)23-20(25)18-11-13-24(14-12-18)21(26)27-22(2,3)4/h5-8,17-19H,9-14H2,1-4H3,(H,23,25)
InChIKeyFRQRGIRWNANOAD-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 24625912) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID24625912
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCc1ccc(C(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1
InChIInChI=1S/C22H32N2O3/c1-15-5-7-16(8-6-15)19(17-9-10-17)23-20(25)18-11-13-24(14-12-18)21(26)27-22(2,3)4/h5-8,17-19H,9-14H2,1-4H3,(H,23,25)
InChIKeyFRQRGIRWNANOAD-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664
4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55478446
tert-butyl 4-[2-hydroxy-1-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 143382792
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51254315
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 4-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]carbamoyl]piperidine-1-carboxylate
CID 163259819
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
tert-butyl 4-[[phenyl(pyridin-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 44765018

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate (CID 24625912) is tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate is Cc1ccc(C(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C2CC2)cc1.
What is the InChIKey of tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is FRQRGIRWNANOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15-5-7-16(8-6-15)19(17-9-10-17)23-20(25)18-11-13-24(14-12-18)21(26)27-22(2,3)4/h5-8,17-19H,9-14H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 372.51 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-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24625912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).