2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide

C24H29N3O5 — CID 71227412

IUPAC2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)NCc3cc4c(c(=O)[nH]3)COCC4)CC2)cc1
InChIInChI=1S/C24H29N3O5/c1-31-20-4-2-16(3-5-20)23(29)17-6-9-27(10-7-17)14-22(28)25-13-19-12-18-8-11-32-15-21(18)24(30)26-19/h2-5,12,17H,6-11,13-15H2,1H3,(H,25,28)(H,26,30)
InChIKeyHFAGPKBDTDCMJD-UHFFFAOYSA-N
MW439.51 g/mol
LogP1.67
Rot. Bonds7

About 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide

2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide (PubChem CID 71227412) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide
PubChem CID71227412
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)NCc3cc4c(c(=O)[nH]3)COCC4)CC2)cc1
InChIInChI=1S/C24H29N3O5/c1-31-20-4-2-16(3-5-20)23(29)17-6-9-27(10-7-17)14-22(28)25-13-19-12-18-8-11-32-15-21(18)24(30)26-19/h2-5,12,17H,6-11,13-15H2,1H3,(H,25,28)(H,26,30)
InChIKeyHFAGPKBDTDCMJD-UHFFFAOYSA-N
XLogP1.67
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 26042056
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-1-yl]-N-[(4-oxo-4a,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 78041512
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 16605979
N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627238
6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137268017
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55739954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide (CID 71227412) is 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide is COc1ccc(C(=O)C2CCN(CC(=O)NCc3cc4c(c(=O)[nH]3)COCC4)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide?
The InChIKey is HFAGPKBDTDCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-31-20-4-2-16(3-5-20)23(29)17-6-9-27(10-7-17)14-22(28)25-13-19-12-18-8-11-32-15-21(18)24(30)26-19/h2-5,12,17H,6-11,13-15H2,1H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide?
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 71227412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).