N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

C25H31ClN2O2 — CID 127035457

IUPACN-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C25H31ClN2O2/c1-17(2)16-19-8-10-20(11-9-19)18(3)25(30)28-14-12-21(13-15-28)24(29)27-23-7-5-4-6-22(23)26/h4-11,17-18,21H,12-16H2,1-3H3,(H,27,29)
InChIKeyCYVRSLRJZIUSHU-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.52
Rot. Bonds6

About N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 127035457) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID127035457
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC NameN-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C25H31ClN2O2/c1-17(2)16-19-8-10-20(11-9-19)18(3)25(30)28-14-12-21(13-15-28)24(29)27-23-7-5-4-6-22(23)26/h4-11,17-18,21H,12-16H2,1-3H3,(H,27,29)
InChIKeyCYVRSLRJZIUSHU-UHFFFAOYSA-N
XLogP5.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (CID 127035457) is N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is CC(C)Cc1ccc(C(C)C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is CYVRSLRJZIUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-17(2)16-19-8-10-20(11-9-19)18(3)25(30)28-14-12-21(13-15-28)24(29)27-23-7-5-4-6-22(23)26/h4-11,17-18,21H,12-16H2,1-3H3,(H,27,29).
What are the key properties of N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 127035457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).