N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide

C22H28FN3O2 — CID 97284932

IUPACN-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C22H28FN3O2/c1-16-12-19(13-21(27)24-16)22(28)25(2)14-18-4-3-10-26(15-18)11-9-17-5-7-20(23)8-6-17/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyOEIYBYHZQYRVAI-SFHVURJKSA-N
MW385.48 g/mol
LogP2.85
Rot. Bonds6

About N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide

N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 97284932) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID97284932
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(=O)[nH]1
InChIInChI=1S/C22H28FN3O2/c1-16-12-19(13-21(27)24-16)22(28)25(2)14-18-4-3-10-26(15-18)11-9-17-5-7-20(23)8-6-17/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyOEIYBYHZQYRVAI-SFHVURJKSA-N
XLogP2.85
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
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N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,2-trimethyl-4-oxo-3H-pyran-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide (CID 97284932) is N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is OEIYBYHZQYRVAI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-16-12-19(13-21(27)24-16)22(28)25(2)14-18-4-3-10-26(15-18)11-9-17-5-7-20(23)8-6-17/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide?
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 97284932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).