N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C26H32N6O4 — CID 11317869

IUPACN-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCN1CC(c2ccccc2)CC(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O
InChIInChI=1S/C26H32N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,19-21H,9-10,12-17H2,1H3,(H,28,34)(H,27,29,35)
InChIKeyOPYBQYGUCLUKNM-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.10
Rot. Bonds6

About N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11317869) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11317869
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCN1CC(c2ccccc2)CC(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O
InChIInChI=1S/C26H32N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,19-21H,9-10,12-17H2,1H3,(H,28,34)(H,27,29,35)
InChIKeyOPYBQYGUCLUKNM-UHFFFAOYSA-N
XLogP2.10
TPSA112.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethylethanamine;1-[1-[2-[(3R,6R)-1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one;2,2,2-trifluoroacetic acid
CID 172861642
N-[6-(2,3-difluorophenyl)-1-(2-methylsulfinylethyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11273148
N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-4-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848858
N-[1-(2-methoxyethyl)-2-oxo-5-pyridin-3-yl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848857
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-phenyl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6R)-1-(cyclopropylmethyl)-7-oxo-3-pyridin-4-yl-5,6-dihydro-2H-azepin-6-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 159111004
N-[(3R,6S)-5,5-dideuterio-1-(1,1-dideuterio-2,2,2-trifluoroethyl)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 46932684
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide
CID 160516478
N-[5-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848908
N-[(3R,6S)-4,4-dideuterio-1-(1,1-dideuterio-2,2,2-trifluoroethyl)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 46932504
1-[1-[2-[1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-4-ium-2-one;2,2,2-trifluoroacetate
CID 22293271

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11317869) is N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COCCN1CC(c2ccccc2)CC(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is OPYBQYGUCLUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-36-15-14-31-17-19(18-6-3-2-4-7-18)16-21(24(31)33)28-25(34)30-12-9-20(10-13-30)32-22-8-5-11-27-23(22)29-26(32)35/h2-8,11,19-21H,9-10,12-17H2,1H3,(H,28,34)(H,27,29,35).
What are the key properties of N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-oxo-5-phenylpiperidin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11317869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).