4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide

C20H23F2N3O2 — CID 126772329

IUPAC4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C20H23F2N3O2/c21-17-3-1-2-4-19(17)24-16-7-9-25(10-8-16)20(27)23-12-14-5-6-15(13-26)18(22)11-14/h1-6,11,16,24,26H,7-10,12-13H2,(H,23,27)
InChIKeyOJZXEIVMMYMQQN-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide

4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 126772329) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID126772329
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C20H23F2N3O2/c21-17-3-1-2-4-19(17)24-16-7-9-25(10-8-16)20(27)23-12-14-5-6-15(13-26)18(22)11-14/h1-6,11,16,24,26H,7-10,12-13H2,(H,23,27)
InChIKeyOJZXEIVMMYMQQN-UHFFFAOYSA-N
XLogP3.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide (CID 126772329) is 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccc(CO)c(F)c1)N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is OJZXEIVMMYMQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c21-17-3-1-2-4-19(17)24-16-7-9-25(10-8-16)20(27)23-12-14-5-6-15(13-26)18(22)11-14/h1-6,11,16,24,26H,7-10,12-13H2,(H,23,27).
What are the key properties of 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide?
4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126772329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).