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

C27H26N4O2 — CID 154863806

IUPACN-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C27H26N4O2/c32-26(30-24-11-5-4-9-21(24)17-19-7-2-1-3-8-19)27(33)31-15-12-20(13-16-31)23-18-29-25-22(23)10-6-14-28-25/h1-11,14,18,20H,12-13,15-17H2,(H,28,29)(H,30,32)
InChIKeyVPCJPFLMSZDJFI-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.50
Rot. Bonds4

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

N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (PubChem CID 154863806) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
PubChem CID154863806
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C27H26N4O2/c32-26(30-24-11-5-4-9-21(24)17-19-7-2-1-3-8-19)27(33)31-15-12-20(13-16-31)23-18-29-25-22(23)10-6-14-28-25/h1-11,14,18,20H,12-13,15-17H2,(H,28,29)(H,30,32)
InChIKeyVPCJPFLMSZDJFI-UHFFFAOYSA-N
XLogP4.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167880702
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
N-[(4-methylthiophen-3-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 136537575
propan-2-yl 6-methyl-2-[[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 167762868
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide (CID 154863806) is N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is O=C(Nc1ccccc1Cc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
The InChIKey is VPCJPFLMSZDJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(30-24-11-5-4-9-21(24)17-19-7-2-1-3-8-19)27(33)31-15-12-20(13-16-31)23-18-29-25-22(23)10-6-14-28-25/h1-11,14,18,20H,12-13,15-17H2,(H,28,29)(H,30,32).
What are the key properties of N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide?
N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide has a molecular weight of 438.53 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 154863806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).