N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide

C22H24N4O2 — CID 167880702

IUPACN-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H24N4O2/c1-15(27)17-5-2-3-7-20(17)25-21(28)14-26-11-8-16(9-12-26)19-13-24-22-18(19)6-4-10-23-22/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,23,24)(H,25,28)
InChIKeyLZJZPRRVHPHZQY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds5

About N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 167880702) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID167880702
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H24N4O2/c1-15(27)17-5-2-3-7-20(17)25-21(28)14-26-11-8-16(9-12-26)19-13-24-22-18(19)6-4-10-23-22/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,23,24)(H,25,28)
InChIKeyLZJZPRRVHPHZQY-UHFFFAOYSA-N
XLogP3.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167964832
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 139004139
N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 154863806
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (CID 167880702) is N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is LZJZPRRVHPHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(27)17-5-2-3-7-20(17)25-21(28)14-26-11-8-16(9-12-26)19-13-24-22-18(19)6-4-10-23-22/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,23,24)(H,25,28).
What are the key properties of N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 167880702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).