N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide

C19H22FN3O — CID 174895118

IUPACN-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide
SMILESO=CNC1(Nc2cccc(F)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O/c20-17-7-4-8-18(13-17)22-19(21-15-24)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,15,22H,9-12,14H2,(H,21,24)
InChIKeyUDTLCJZPMBNDQO-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.98
Rot. Bonds6

About N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide

N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide (PubChem CID 174895118) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide
PubChem CID174895118
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide
SMILESO=CNC1(Nc2cccc(F)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22FN3O/c20-17-7-4-8-18(13-17)22-19(21-15-24)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,15,22H,9-12,14H2,(H,21,24)
InChIKeyUDTLCJZPMBNDQO-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide?
The IUPAC name of N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide (CID 174895118) is N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide.
What is the SMILES notation for N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide?
The canonical SMILES for N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide is O=CNC1(Nc2cccc(F)c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide?
The InChIKey is UDTLCJZPMBNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-7-4-8-18(13-17)22-19(21-15-24)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,15,22H,9-12,14H2,(H,21,24).
What are the key properties of N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide?
N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide has a molecular weight of 327.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-(3-fluoroanilino)piperidin-4-yl]formamide is sourced from PubChem (CID 174895118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).