1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C17H19N5O — CID 118888622

IUPAC1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESNc1ccc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc1
InChIInChI=1S/C17H19N5O/c18-12-3-5-13(6-4-12)21-10-7-14(8-11-21)22-15-2-1-9-19-16(15)20-17(22)23/h1-6,9,14H,7-8,10-11,18H2,(H,19,20,23)
InChIKeySNZDCNDPKAKDCV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.15
Rot. Bonds2

About 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 118888622) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID118888622
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESNc1ccc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc1
InChIInChI=1S/C17H19N5O/c18-12-3-5-13(6-4-12)21-10-7-14(8-11-21)22-15-2-1-9-19-16(15)20-17(22)23/h1-6,9,14H,7-8,10-11,18H2,(H,19,20,23)
InChIKeySNZDCNDPKAKDCV-UHFFFAOYSA-N
XLogP2.15
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 118888622) is 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is Nc1ccc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is SNZDCNDPKAKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-12-3-5-13(6-4-12)21-10-7-14(8-11-21)22-15-2-1-9-19-16(15)20-17(22)23/h1-6,9,14H,7-8,10-11,18H2,(H,19,20,23).
What are the key properties of 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 118888622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).