1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide

C18H20FN3O3 — CID 136545141

IUPAC1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncoc1CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O3/c1-12-16(25-11-21-12)9-20-17(23)14-3-2-8-22(10-14)18(24)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyOXVQNSLDLNPWDC-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 136545141) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID136545141
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncoc1CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN3O3/c1-12-16(25-11-21-12)9-20-17(23)14-3-2-8-22(10-14)18(24)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyOXVQNSLDLNPWDC-UHFFFAOYSA-N
XLogP2.29
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 51306191
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 136545141) is 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ncoc1CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OXVQNSLDLNPWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-16(25-11-21-12)9-20-17(23)14-3-2-8-22(10-14)18(24)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136545141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).