N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide

C29H32FN3O2 — CID 122184561

IUPACN-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1
InChIInChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyMNKSLZNPCRRMKJ-UHFFFAOYSA-N
MW473.59 g/mol
LogP4.57
Rot. Bonds8

About N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide

N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide (PubChem CID 122184561) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide
PubChem CID122184561
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC NameN-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1
InChIInChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyMNKSLZNPCRRMKJ-UHFFFAOYSA-N
XLogP4.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide (CID 122184561) is N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide is CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CC1.
What is the InChIKey of N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide?
The InChIKey is MNKSLZNPCRRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide?
N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide has a molecular weight of 473.59 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-acetamidopiperidin-1-yl)methyl]phenyl]ethyl]-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122184561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).