N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide

C28H38N2O — CID 24776412

IUPACN-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1
InChIInChI=1S/C28H38N2O/c1-22(2)24-13-15-26(16-14-24)30-19-17-28(18-20-30,25-11-7-4-8-12-25)27(31)29-21-23-9-5-3-6-10-23/h3-12,22,24,26H,13-21H2,1-2H3,(H,29,31)
InChIKeyTZINXQGFSMEYPR-UHFFFAOYSA-N
MW418.63 g/mol
LogP5.55
Rot. Bonds6

About N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide

N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (PubChem CID 24776412) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
PubChem CID24776412
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC NameN-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1
InChIInChI=1S/C28H38N2O/c1-22(2)24-13-15-26(16-14-24)30-19-17-28(18-20-30,25-11-7-4-8-12-25)27(31)29-21-23-9-5-3-6-10-23/h3-12,22,24,26H,13-21H2,1-2H3,(H,29,31)
InChIKeyTZINXQGFSMEYPR-UHFFFAOYSA-N
XLogP5.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide (CID 24776412) is N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1.
What is the InChIKey of N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is TZINXQGFSMEYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O/c1-22(2)24-13-15-26(16-14-24)30-19-17-28(18-20-30,25-11-7-4-8-12-25)27(31)29-21-23-9-5-3-6-10-23/h3-12,22,24,26H,13-21H2,1-2H3,(H,29,31).
What are the key properties of N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide?
N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 418.63 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 24776412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).