N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide

C19H28FN3O2 — CID 112799775

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC1CCN(CC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C19H28FN3O2/c1-14(2)23(19(25)13-22-10-8-15(3)9-11-22)12-18(24)21-17-6-4-16(20)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,21,24)
InChIKeyMJAAEEFZZCYVAG-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 112799775) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
PubChem CID112799775
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC1CCN(CC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C19H28FN3O2/c1-14(2)23(19(25)13-22-10-8-15(3)9-11-22)12-18(24)21-17-6-4-16(20)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,21,24)
InChIKeyMJAAEEFZZCYVAG-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide
CID 8557859
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide
CID 119268521
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
4-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119268520
2-[4-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435978
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
CID 119684397
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide (CID 112799775) is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide is CC1CCN(CC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)CC1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is MJAAEEFZZCYVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14(2)23(19(25)13-22-10-8-15(3)9-11-22)12-18(24)21-17-6-4-16(20)5-7-17/h4-7,14-15H,8-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 349.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 112799775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).