N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide

C18H24FN3O2 — CID 159731204

IUPACN-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCC(C)N1CC[C@@H](NC(=O)c2cn(C)c(=O)c3c2C=CC3)[C@@H](F)C1
InChIInChI=1S/C18H24FN3O2/c1-11(2)22-8-7-16(15(19)10-22)20-17(23)14-9-21(3)18(24)13-6-4-5-12(13)14/h4-5,9,11,15-16H,6-8,10H2,1-3H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyDTXLJECFQZZESN-JKSUJKDBSA-N
MW333.41 g/mol
LogP1.51
Rot. Bonds3

About N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide

N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 159731204) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID159731204
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCC(C)N1CC[C@@H](NC(=O)c2cn(C)c(=O)c3c2C=CC3)[C@@H](F)C1
InChIInChI=1S/C18H24FN3O2/c1-11(2)22-8-7-16(15(19)10-22)20-17(23)14-9-21(3)18(24)13-6-4-5-12(13)14/h4-5,9,11,15-16H,6-8,10H2,1-3H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyDTXLJECFQZZESN-JKSUJKDBSA-N
XLogP1.51
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide (CID 159731204) is N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is CC(C)N1CC[C@@H](NC(=O)c2cn(C)c(=O)c3c2C=CC3)[C@@H](F)C1.
What is the InChIKey of N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is DTXLJECFQZZESN-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-11(2)22-8-7-16(15(19)10-22)20-17(23)14-9-21(3)18(24)13-6-4-5-12(13)14/h4-5,9,11,15-16H,6-8,10H2,1-3H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide?
N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 159731204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).