N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide

C24H24FN3O3 — CID 126471519

IUPACN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C24H24FN3O3/c1-27(22(20-5-2-3-13-26-20)17-7-9-19(25)10-8-17)23(29)18-11-14-28(15-12-18)24(30)21-6-4-16-31-21/h2-10,13,16,18,22H,11-12,14-15H2,1H3
InChIKeyCNGZZEMUEIAWRC-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.91
Rot. Bonds5

About N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide

N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 126471519) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID126471519
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C24H24FN3O3/c1-27(22(20-5-2-3-13-26-20)17-7-9-19(25)10-8-17)23(29)18-11-14-28(15-12-18)24(30)21-6-4-16-31-21/h2-10,13,16,18,22H,11-12,14-15H2,1H3
InChIKeyCNGZZEMUEIAWRC-UHFFFAOYSA-N
XLogP3.91
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-N-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxamide
CID 126474628
1-(furan-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 134054283
1-acetyl-N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 126473035
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126471945
1-(cyclopropanecarbonyl)-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474402

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide (CID 126471519) is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)c2ccco2)CC1)C(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is CNGZZEMUEIAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-27(22(20-5-2-3-13-26-20)17-7-9-19(25)10-8-17)23(29)18-11-14-28(15-12-18)24(30)21-6-4-16-31-21/h2-10,13,16,18,22H,11-12,14-15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 126471519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).