1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid

C19H26FN3O5 — CID 119251312

IUPAC1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C19H26FN3O5/c1-2-3-15(16(24)23-10-8-19(28,9-11-23)17(25)26)22-18(27)21-12-13-4-6-14(20)7-5-13/h4-7,15,28H,2-3,8-12H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyZTUWNSRRSXFRQX-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.23
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid

1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251312) has the molecular formula C19H26FN3O5 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251312
Molecular FormulaC19H26FN3O5
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C19H26FN3O5/c1-2-3-15(16(24)23-10-8-19(28,9-11-23)17(25)26)22-18(27)21-12-13-4-6-14(20)7-5-13/h4-7,15,28H,2-3,8-12H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyZTUWNSRRSXFRQX-UHFFFAOYSA-N
XLogP1.23
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]urea
CID 42933803
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]urea
CID 42883941
1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
CID 119647170
1-[(4-fluorophenyl)methyl]-3-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea;hydrochloride
CID 119541243
1-[(4-fluorophenyl)methyl]-3-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-1-oxopentan-2-yl]urea
CID 112808098
2-[4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55518440
1-[(4-fluorophenyl)methyl]-3-[1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-oxopentan-2-yl]urea
CID 55754127
2-[4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55518026
1-[1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 55502915
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl-methylamino]-2-methylpropanoic acid
CID 119228249

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251312) is 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is ZTUWNSRRSXFRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5/c1-2-3-15(16(24)23-10-8-19(28,9-11-23)17(25)26)22-18(27)21-12-13-4-6-14(20)7-5-13/h4-7,15,28H,2-3,8-12H2,1H3,(H,25,26)(H2,21,22,27).
What are the key properties of 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 395.43 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).