1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

C25H25FN2O2 — CID 162196893

IUPAC1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2ccccc12
InChIInChI=1S/C25H25FN2O2/c1-2-17-10-11-23(22-9-4-3-8-21(17)22)25(30)28-14-12-18(13-15-28)24(29)27-20-7-5-6-19(26)16-20/h3-11,16,18H,2,12-15H2,1H3,(H,27,29)
InChIKeyWQSZJMCFWSPGIW-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.03
Rot. Bonds4

About 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide

1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 162196893) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID162196893
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESCCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2ccccc12
InChIInChI=1S/C25H25FN2O2/c1-2-17-10-11-23(22-9-4-3-8-21(17)22)25(30)28-14-12-18(13-15-28)24(29)27-20-7-5-6-19(26)16-20/h3-11,16,18H,2,12-15H2,1H3,(H,27,29)
InChIKeyWQSZJMCFWSPGIW-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 162196893) is 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is CCc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2ccccc12.
What is the InChIKey of 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is WQSZJMCFWSPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-2-17-10-11-23(22-9-4-3-8-21(17)22)25(30)28-14-12-18(13-15-28)24(29)27-20-7-5-6-19(26)16-20/h3-11,16,18H,2,12-15H2,1H3,(H,27,29).
What are the key properties of 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylnaphthalene-1-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 162196893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).