N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

C29H33N3O2 — CID 46334023

IUPACN-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4ccc(C)cc4)c3)C2)cc1
InChIInChI=1S/C29H33N3O2/c1-3-22-13-15-27(16-14-22)31-29(34)32-17-5-8-26(20-32)24-6-4-7-25(18-24)28(33)30-19-23-11-9-21(2)10-12-23/h4,6-7,9-16,18,26H,3,5,8,17,19-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyVETHWPNSWCWBHB-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.90
Rot. Bonds6

About N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 46334023) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID46334023
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4ccc(C)cc4)c3)C2)cc1
InChIInChI=1S/C29H33N3O2/c1-3-22-13-15-27(16-14-22)31-29(34)32-17-5-8-26(20-32)24-6-4-7-25(18-24)28(33)30-19-23-11-9-21(2)10-12-23/h4,6-7,9-16,18,26H,3,5,8,17,19-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyVETHWPNSWCWBHB-UHFFFAOYSA-N
XLogP5.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 46334023) is N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4ccc(C)cc4)c3)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is VETHWPNSWCWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-3-22-13-15-27(16-14-22)31-29(34)32-17-5-8-26(20-32)24-6-4-7-25(18-24)28(33)30-19-23-11-9-21(2)10-12-23/h4,6-7,9-16,18,26H,3,5,8,17,19-20H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 46334023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).