1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide

C17H17ClFN3O — CID 45275571

IUPAC1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-15-10-21-9-14(11-1-3-13(19)4-2-11)16(15)22-7-5-12(6-8-22)17(20)23/h1-4,9-10,12H,5-8H2,(H2,20,23)
InChIKeySERAWXAJXSKWSJ-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.24
Rot. Bonds3

About 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide

1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45275571) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45275571
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O/c18-15-10-21-9-14(11-1-3-13(19)4-2-11)16(15)22-7-5-12(6-8-22)17(20)23/h1-4,9-10,12H,5-8H2,(H2,20,23)
InChIKeySERAWXAJXSKWSJ-UHFFFAOYSA-N
XLogP3.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-chloro-5-phenyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 45275778
1-(3-chloro-5-phenyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 45274288
1-[3-chloro-5-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]piperidine-4-carboxamide
CID 175270924
[1-(3-chloro-5-fluoro-4-pyridinyl)piperidin-4-yl]urea
CID 146145536
1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 90774248
(3R)-1-[4-chloro-3-(4-fluorophenyl)phenyl]pyrrolidine-3-carboxylic acid
CID 118058318
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
1-[2-(aminomethyl)-6-chlorophenyl]piperidine-4-carboxamide
CID 114068114
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 20922540
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
CID 53333806
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide (CID 45275571) is 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SERAWXAJXSKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-15-10-21-9-14(11-1-3-13(19)4-2-11)16(15)22-7-5-12(6-8-22)17(20)23/h1-4,9-10,12H,5-8H2,(H2,20,23).
What are the key properties of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45275571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).