N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide

C23H28ClN3O2 — CID 17153142

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-23(2,3)26-22(29)19-9-4-5-10-20(19)25-21(28)16-11-13-27(14-12-16)18-8-6-7-17(24)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyRESXXCRCHBTQJX-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.72
Rot. Bonds4

About N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide

N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 17153142) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID17153142
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-23(2,3)26-22(29)19-9-4-5-10-20(19)25-21(28)16-11-13-27(14-12-16)18-8-6-7-17(24)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyRESXXCRCHBTQJX-UHFFFAOYSA-N
XLogP4.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide (CID 17153142) is N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is RESXXCRCHBTQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-23(2,3)26-22(29)19-9-4-5-10-20(19)25-21(28)16-11-13-27(14-12-16)18-8-6-7-17(24)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide?
N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17153142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).