N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide

C22H24N4O4 — CID 71704754

IUPACN-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCc1cc(=O)c(OCC(=O)NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c[nH]1
InChIInChI=1S/C22H24N4O4/c1-14-10-19(27)20(12-23-14)30-13-21(28)24-16-6-8-26(9-7-16)22(29)18-11-15-4-2-3-5-17(15)25-18/h2-5,10-12,16,25H,6-9,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyONRHORPGZCXHBL-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.96
Rot. Bonds5

About N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide

N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (PubChem CID 71704754) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
PubChem CID71704754
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCc1cc(=O)c(OCC(=O)NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c[nH]1
InChIInChI=1S/C22H24N4O4/c1-14-10-19(27)20(12-23-14)30-13-21(28)24-16-6-8-26(9-7-16)22(29)18-11-15-4-2-3-5-17(15)25-18/h2-5,10-12,16,25H,6-9,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyONRHORPGZCXHBL-UHFFFAOYSA-N
XLogP1.96
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-methoxybenzamide
CID 52899027
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71702291
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863817
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552625

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The IUPAC name of N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (CID 71704754) is N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.
What is the SMILES notation for N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The canonical SMILES for N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is Cc1cc(=O)c(OCC(=O)NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c[nH]1.
What is the InChIKey of N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The InChIKey is ONRHORPGZCXHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-10-19(27)20(12-23-14)30-13-21(28)24-16-6-8-26(9-7-16)22(29)18-11-15-4-2-3-5-17(15)25-18/h2-5,10-12,16,25H,6-9,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide has a molecular weight of 408.46 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is sourced from PubChem (CID 71704754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).