N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide

C22H23FN4O2 — CID 167955376

IUPACN-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(C(=O)c2c[nH]c3ncccc23)C1)NCc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c23-17-7-5-15(6-8-17)12-25-20(28)11-16-3-2-10-27(14-16)22(29)19-13-26-21-18(19)4-1-9-24-21/h1,4-9,13,16H,2-3,10-12,14H2,(H,24,26)(H,25,28)
InChIKeyXKVYVHDBUOMRKK-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 167955376) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID167955376
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(C(=O)c2c[nH]c3ncccc23)C1)NCc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c23-17-7-5-15(6-8-17)12-25-20(28)11-16-3-2-10-27(14-16)22(29)19-13-26-21-18(19)4-1-9-24-21/h1,4-9,13,16H,2-3,10-12,14H2,(H,24,26)(H,25,28)
InChIKeyXKVYVHDBUOMRKK-UHFFFAOYSA-N
XLogP3.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-(1-oxo-2H-isoquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 166376867
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474946
N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
CID 166375521
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
1-(1H-indole-3-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 56727584
N-[[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 131927463
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide (CID 167955376) is N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide is O=C(CC1CCCN(C(=O)c2c[nH]c3ncccc23)C1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is XKVYVHDBUOMRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-17-7-5-15(6-8-17)12-25-20(28)11-16-3-2-10-27(14-16)22(29)19-13-26-21-18(19)4-1-9-24-21/h1,4-9,13,16H,2-3,10-12,14H2,(H,24,26)(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 167955376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).