N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide

C26H32FN3O4 — CID 46151701

IUPACN-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C26H32FN3O4/c1-4-29(5-2)26(33)23(28-24(31)19-10-6-8-12-21(19)27)18-14-16-30(17-15-18)25(32)20-11-7-9-13-22(20)34-3/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,28,31)
InChIKeySNOKDHNRMONILN-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.35
Rot. Bonds8

About N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide

N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 46151701) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID46151701
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC NameN-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C26H32FN3O4/c1-4-29(5-2)26(33)23(28-24(31)19-10-6-8-12-21(19)27)18-14-16-30(17-15-18)25(32)20-11-7-9-13-22(20)34-3/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,28,31)
InChIKeySNOKDHNRMONILN-UHFFFAOYSA-N
XLogP3.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-(diethylamino)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178801
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178757
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014668
N-[2-(butan-2-ylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46019064
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
N-[(1S)-2-(diethylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199629
N-[(1R)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199625
N-[(1S)-2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198833
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 93178764
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196655
N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032232

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide (CID 46151701) is N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide is CCN(CC)C(=O)C(NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is SNOKDHNRMONILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-4-29(5-2)26(33)23(28-24(31)19-10-6-8-12-21(19)27)18-14-16-30(17-15-18)25(32)20-11-7-9-13-22(20)34-3/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 469.56 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 46151701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).