N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide

C32H37N3O2 — CID 10097317

IUPACN-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide
SMILESCc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H37N3O2/c1-24-9-13-27(14-10-24)32(37,28-15-11-25(2)12-16-28)30(36)34-19-6-20-35-21-17-31(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,37H,6,17-22H2,1-3H3,(H,34,36)
InChIKeyFJFCVNFWRHPKPL-UHFFFAOYSA-N
MW495.67 g/mol
LogP4.91
Rot. Bonds8

About N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide

N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide (PubChem CID 10097317) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide
PubChem CID10097317
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide
SMILESCc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H37N3O2/c1-24-9-13-27(14-10-24)32(37,28-15-11-25(2)12-16-28)30(36)34-19-6-20-35-21-17-31(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,37H,6,17-22H2,1-3H3,(H,34,36)
InChIKeyFJFCVNFWRHPKPL-UHFFFAOYSA-N
XLogP4.91
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide?
The IUPAC name of N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide (CID 10097317) is N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide is Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide?
The InChIKey is FJFCVNFWRHPKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-24-9-13-27(14-10-24)32(37,28-15-11-25(2)12-16-28)30(36)34-19-6-20-35-21-17-31(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,37H,6,17-22H2,1-3H3,(H,34,36).
What are the key properties of N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide?
N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide has a molecular weight of 495.67 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide is sourced from PubChem (CID 10097317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).