4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

C25H33N3O2 — CID 24980064

IUPAC4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-25(2,3)21-12-10-19(11-13-21)18-27(4)23(29)20-14-16-28(17-15-20)24(30)26-22-8-6-5-7-9-22/h5-13,20H,14-18H2,1-4H3,(H,26,30)
InChIKeyRIBCMMSGQSEOTM-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.89
Rot. Bonds4

About 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 24980064) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID24980064
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-25(2,3)21-12-10-19(11-13-21)18-27(4)23(29)20-14-16-28(17-15-20)24(30)26-22-8-6-5-7-9-22/h5-13,20H,14-18H2,1-4H3,(H,26,30)
InChIKeyRIBCMMSGQSEOTM-UHFFFAOYSA-N
XLogP4.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 24980064) is 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is RIBCMMSGQSEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-25(2,3)21-12-10-19(11-13-21)18-27(4)23(29)20-14-16-28(17-15-20)24(30)26-22-8-6-5-7-9-22/h5-13,20H,14-18H2,1-4H3,(H,26,30).
What are the key properties of 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-tert-butylphenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 24980064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).