tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate

C22H34N2O3 — CID 86635224

IUPACtert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C22H34N2O3/c1-20(2,3)16-9-8-10-17(15-16)23-18(25)22(7)11-13-24(14-12-22)19(26)27-21(4,5)6/h8-10,15H,11-14H2,1-7H3,(H,23,25)
InChIKeyOCPHZILUPWGHQD-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.96
Rot. Bonds2

About tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate (PubChem CID 86635224) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
PubChem CID86635224
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Nametert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C22H34N2O3/c1-20(2,3)16-9-8-10-17(15-16)23-18(25)22(7)11-13-24(14-12-22)19(26)27-21(4,5)6/h8-10,15H,11-14H2,1-7H3,(H,23,25)
InChIKeyOCPHZILUPWGHQD-UHFFFAOYSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate (CID 86635224) is tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is OCPHZILUPWGHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-20(2,3)16-9-8-10-17(15-16)23-18(25)22(7)11-13-24(14-12-22)19(26)27-21(4,5)6/h8-10,15H,11-14H2,1-7H3,(H,23,25).
What are the key properties of tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 86635224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).