N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide

C25H30FN3O5 — CID 93198154

IUPACN-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O5/c1-33-14-11-27-24(31)22(28-23(30)18-5-4-8-21(16-18)34-2)17-9-12-29(13-10-17)25(32)19-6-3-7-20(26)15-19/h3-8,15-17,22H,9-14H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1
InChIKeyBGSSPFAZGSHVFB-JOCHJYFZSA-N
MW471.53 g/mol
LogP2.25
Rot. Bonds9

About N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide

N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 93198154) has the molecular formula C25H30FN3O5 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID93198154
Molecular FormulaC25H30FN3O5
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC NameN-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O5/c1-33-14-11-27-24(31)22(28-23(30)18-5-4-8-21(16-18)34-2)17-9-12-29(13-10-17)25(32)19-6-3-7-20(26)15-19/h3-8,15-17,22H,9-14H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1
InChIKeyBGSSPFAZGSHVFB-JOCHJYFZSA-N
XLogP2.25
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 52.25
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-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019486
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-4-methoxybenzamide
CID 46019563
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 42847712
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46019927
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197439
2-fluoro-N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 93196493
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198983
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methoxybenzamide
CID 46019816
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide (CID 93198154) is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide is COCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is BGSSPFAZGSHVFB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30FN3O5/c1-33-14-11-27-24(31)22(28-23(30)18-5-4-8-21(16-18)34-2)17-9-12-29(13-10-17)25(32)19-6-3-7-20(26)15-19/h3-8,15-17,22H,9-14H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide?
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 471.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 93198154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).