2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide

C23H28FN3O2 — CID 46069076

IUPAC2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)C)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H28FN3O2/c1-15(2)26(4)23(29)20-10-5-16(3)25-21(20)17-11-13-27(14-12-17)22(28)18-6-8-19(24)9-7-18/h5-10,15,17H,11-14H2,1-4H3
InChIKeyJSVGQDIWXNBXBC-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide

2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 46069076) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID46069076
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)C)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C23H28FN3O2/c1-15(2)26(4)23(29)20-10-5-16(3)25-21(20)17-11-13-27(14-12-17)22(28)18-6-8-19(24)9-7-18/h5-10,15,17H,11-14H2,1-4H3
InChIKeyJSVGQDIWXNBXBC-UHFFFAOYSA-N
XLogP4.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide (CID 46069076) is 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C(C)C)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is JSVGQDIWXNBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-15(2)26(4)23(29)20-10-5-16(3)25-21(20)17-11-13-27(14-12-17)22(28)18-6-8-19(24)9-7-18/h5-10,15,17H,11-14H2,1-4H3.
What are the key properties of 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide?
2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorobenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46069076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).