N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

C24H25FN2O — CID 23724067

IUPACN-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccc(F)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25FN2O/c25-21-10-3-6-18(14-21)16-27-13-5-7-19(17-27)15-26-24(28)23-12-4-9-20-8-1-2-11-22(20)23/h1-4,6,8-12,14,19H,5,7,13,15-17H2,(H,26,28)
InChIKeyWGBUMOSOXHQVHO-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.62
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 23724067) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID23724067
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccc(F)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25FN2O/c25-21-10-3-6-18(14-21)16-27-13-5-7-19(17-27)15-26-24(28)23-12-4-9-20-8-1-2-11-22(20)23/h1-4,6,8-12,14,19H,5,7,13,15-17H2,(H,26,28)
InChIKeyWGBUMOSOXHQVHO-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 23724067) is N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is O=C(NCC1CCCN(Cc2cccc(F)c2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is WGBUMOSOXHQVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c25-21-10-3-6-18(14-21)16-27-13-5-7-19(17-27)15-26-24(28)23-12-4-9-20-8-1-2-11-22(20)23/h1-4,6,8-12,14,19H,5,7,13,15-17H2,(H,26,28).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 23724067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).