N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C18H19ClFN3O — CID 46384796

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H19ClFN3O/c19-17-11-15(20)2-1-14(17)12-22-18(24)13-5-9-23(10-6-13)16-3-7-21-8-4-16/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,22,24)
InChIKeyDVHTUTWEBVYSDS-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.41
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384796) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384796
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H19ClFN3O/c19-17-11-15(20)2-1-14(17)12-22-18(24)13-5-9-23(10-6-13)16-3-7-21-8-4-16/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,22,24)
InChIKeyDVHTUTWEBVYSDS-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384796) is N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is DVHTUTWEBVYSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-17-11-15(20)2-1-14(17)12-22-18(24)13-5-9-23(10-6-13)16-3-7-21-8-4-16/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,22,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).