1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide

C25H25FN2O3 — CID 55567061

IUPAC1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc2ccccc2c1CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H25FN2O3/c1-31-23-13-10-17-5-2-3-7-21(17)22(23)15-27-24(29)19-6-4-14-28(16-19)25(30)18-8-11-20(26)12-9-18/h2-3,5,7-13,19H,4,6,14-16H2,1H3,(H,27,29)
InChIKeyNNHZVFIGWZKBJL-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide (PubChem CID 55567061) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
PubChem CID55567061
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc2ccccc2c1CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H25FN2O3/c1-31-23-13-10-17-5-2-3-7-21(17)22(23)15-27-24(29)19-6-4-14-28(16-19)25(30)18-8-11-20(26)12-9-18/h2-3,5,7-13,19H,4,6,14-16H2,1H3,(H,27,29)
InChIKeyNNHZVFIGWZKBJL-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
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CID 51306191
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
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1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56517800
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
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1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide (CID 55567061) is 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide is COc1ccc2ccccc2c1CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NNHZVFIGWZKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-31-23-13-10-17-5-2-3-7-21(17)22(23)15-27-24(29)19-6-4-14-28(16-19)25(30)18-8-11-20(26)12-9-18/h2-3,5,7-13,19H,4,6,14-16H2,1H3,(H,27,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55567061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).