2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide

C25H30FN3O4 — CID 93196391

IUPAC2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCOCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H30FN3O4/c1-17-7-3-4-8-19(17)25(32)29-14-11-18(12-15-29)22(24(31)27-13-16-33-2)28-23(30)20-9-5-6-10-21(20)26/h3-10,18,22H,11-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyBDQHTLNIWOCCMJ-QFIPXVFZSA-N
MW455.53 g/mol
LogP2.55
Rot. Bonds8

About 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide

2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 93196391) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID93196391
Molecular FormulaC25H30FN3O4
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCOCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H30FN3O4/c1-17-7-3-4-8-19(17)25(32)29-14-11-18(12-15-29)22(24(31)27-13-16-33-2)28-23(30)20-9-5-6-10-21(20)26/h3-10,18,22H,11-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyBDQHTLNIWOCCMJ-QFIPXVFZSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
2-fluoro-N-[2-(2-methoxyethylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840204
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-[2-(butan-2-ylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46019064
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032274
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196589

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 93196391) is 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is COCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is BDQHTLNIWOCCMJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-17-7-3-4-8-19(17)25(32)29-14-11-18(12-15-29)22(24(31)27-13-16-33-2)28-23(30)20-9-5-6-10-21(20)26/h3-10,18,22H,11-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 455.53 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93196391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).