2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide

C26H32FN3O5 — CID 93196493

IUPAC2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOCCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C26H32FN3O5/c1-34-16-6-13-28-25(32)23(29-24(31)21-9-3-4-10-22(21)27)18-11-14-30(15-12-18)26(33)19-7-5-8-20(17-19)35-2/h3-5,7-10,17-18,23H,6,11-16H2,1-2H3,(H,28,32)(H,29,31)/t23-/m1/s1
InChIKeyPLMWLIIYQMSQTR-HSZRJFAPSA-N
MW485.56 g/mol
LogP2.64
Rot. Bonds10

About 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide

2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide (PubChem CID 93196493) has the molecular formula C26H32FN3O5 and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide
PubChem CID93196493
Molecular FormulaC26H32FN3O5
Molecular Weight485.56 g/mol
Exact Mass485.23
IUPAC Name2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCOCCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C26H32FN3O5/c1-34-16-6-13-28-25(32)23(29-24(31)21-9-3-4-10-22(21)27)18-11-14-30(15-12-18)26(33)19-7-5-8-20(17-19)35-2/h3-5,7-10,17-18,23H,6,11-16H2,1-2H3,(H,28,32)(H,29,31)/t23-/m1/s1
InChIKeyPLMWLIIYQMSQTR-HSZRJFAPSA-N
XLogP2.64
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methoxybenzamide
CID 46019816
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198154
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 46019075
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-2-fluorobenzamide
CID 93196483
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 42847712
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
2-fluoro-N-[2-(3-methoxypropylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]benzamide
CID 42840212
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197865
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197863
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019486

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide (CID 93196493) is 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide is COCCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is PLMWLIIYQMSQTR-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32FN3O5/c1-34-16-6-13-28-25(32)23(29-24(31)21-9-3-4-10-22(21)27)18-11-14-30(15-12-18)26(33)19-7-5-8-20(17-19)35-2/h3-5,7-10,17-18,23H,6,11-16H2,1-2H3,(H,28,32)(H,29,31)/t23-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 485.56 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 93196493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).