N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide

C30H34FN3O2 — CID 46052597

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H34FN3O2/c1-23-8-12-26(13-9-23)30(36)34(22-25-6-5-7-27(31)20-25)28-14-10-24(11-15-28)21-29(35)32-16-19-33-17-3-2-4-18-33/h5-15,20H,2-4,16-19,21-22H2,1H3,(H,32,35)
InChIKeyNAOVMJQEPRIILD-UHFFFAOYSA-N
MW487.62 g/mol
LogP5.13
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide

N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide (PubChem CID 46052597) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
PubChem CID46052597
Molecular FormulaC30H34FN3O2
Molecular Weight487.62 g/mol
Exact Mass487.26
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H34FN3O2/c1-23-8-12-26(13-9-23)30(36)34(22-25-6-5-7-27(31)20-25)28-14-10-24(11-15-28)21-29(35)32-16-19-33-17-3-2-4-18-33/h5-15,20H,2-4,16-19,21-22H2,1H3,(H,32,35)
InChIKeyNAOVMJQEPRIILD-UHFFFAOYSA-N
XLogP5.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052561
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46057130
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353
4-chloro-N-[(3-fluorophenyl)methyl]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 46046558
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052660
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide (CID 46052597) is N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide is Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide?
The InChIKey is NAOVMJQEPRIILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2/c1-23-8-12-26(13-9-23)30(36)34(22-25-6-5-7-27(31)20-25)28-14-10-24(11-15-28)21-29(35)32-16-19-33-17-3-2-4-18-33/h5-15,20H,2-4,16-19,21-22H2,1H3,(H,32,35).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide?
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide has a molecular weight of 487.62 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 46052597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).