[2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid

C18H24FN3O5 — CID 69162784

IUPAC[2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid
SMILESCc1c(F)cccc1CNC(=O)C1(CO)CCN(C(=O)CNC(=O)O)CC1
InChIInChI=1S/C18H24FN3O5/c1-12-13(3-2-4-14(12)19)9-20-16(25)18(11-23)5-7-22(8-6-18)15(24)10-21-17(26)27/h2-4,21,23H,5-11H2,1H3,(H,20,25)(H,26,27)
InChIKeyZSQLQVUVJCBKRV-UHFFFAOYSA-N
MW381.40 g/mol
LogP0.62
Rot. Bonds6

About [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid

[2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid (PubChem CID 69162784) has the molecular formula C18H24FN3O5 and a molecular weight of 381.40 g/mol. Its IUPAC name is [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid
PubChem CID69162784
Molecular FormulaC18H24FN3O5
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name[2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid
SMILESCc1c(F)cccc1CNC(=O)C1(CO)CCN(C(=O)CNC(=O)O)CC1
InChIInChI=1S/C18H24FN3O5/c1-12-13(3-2-4-14(12)19)9-20-16(25)18(11-23)5-7-22(8-6-18)15(24)10-21-17(26)27/h2-4,21,23H,5-11H2,1H3,(H,20,25)(H,26,27)
InChIKeyZSQLQVUVJCBKRV-UHFFFAOYSA-N
XLogP0.62
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid (CID 69162784) is [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid is Cc1c(F)cccc1CNC(=O)C1(CO)CCN(C(=O)CNC(=O)O)CC1.
What is the InChIKey of [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
The InChIKey is ZSQLQVUVJCBKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O5/c1-12-13(3-2-4-14(12)19)9-20-16(25)18(11-23)5-7-22(8-6-18)15(24)10-21-17(26)27/h2-4,21,23H,5-11H2,1H3,(H,20,25)(H,26,27).
What are the key properties of [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid?
[2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid has a molecular weight of 381.40 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 69162784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).