4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid

C17H20F2N2O3 — CID 166317742

IUPAC4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCN(c2ccccc2)CC1)C1CC(F)(F)C1
InChIInChI=1S/C17H20F2N2O3/c18-17(19)10-12(11-17)14(22)20-16(15(23)24)6-8-21(9-7-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,20,22)(H,23,24)
InChIKeyGJDOAAIFOGDSOH-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.27
Rot. Bonds4

About 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid

4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid (PubChem CID 166317742) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid
PubChem CID166317742
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCN(c2ccccc2)CC1)C1CC(F)(F)C1
InChIInChI=1S/C17H20F2N2O3/c18-17(19)10-12(11-17)14(22)20-16(15(23)24)6-8-21(9-7-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,20,22)(H,23,24)
InChIKeyGJDOAAIFOGDSOH-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Norcarfentanil
CID 2724431
GI 90291
CID 131560
methyl 1-(5-(18F)fluoropentyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 11552587
4-Anilino-1-benzylpiperidine-4-carboxylic acid--hydrogen chloride (1/1)
CID 43543
1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
CID 43544
4-Amino-1-phenylpiperidine-4-carboxylic acid
CID 22145262
1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride
CID 51062761
2-((2-Ethylhexyl)amino)-4-((4-fluorophenyl)amino)-4-oxobutanoic acid
CID 18580994
4-((2,4-Difluorophenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 18581128
4-((2,4-Difluorophenyl)amino)-2-((2-ethylhexyl)amino)-4-oxobutanoic acid
CID 18581132
SPIPERONE_met041
CID 171114953
3-{[4-(4-Methylpiperidin-1-yl)phenyl]carbamoyl}propanoic acid
CID 4327964

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid (CID 166317742) is 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid is O=C(NC1(C(=O)O)CCN(c2ccccc2)CC1)C1CC(F)(F)C1.
What is the InChIKey of 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid?
The InChIKey is GJDOAAIFOGDSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-17(19)10-12(11-17)14(22)20-16(15(23)24)6-8-21(9-7-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,20,22)(H,23,24).
What are the key properties of 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid?
4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid has a molecular weight of 338.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 166317742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).