2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

C27H33FN4O5 — CID 136627207

IUPAC2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESO=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CCCO2)CC1
InChIInChI=1S/C27H33FN4O5/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-12-37-21)15-24-29-23-9-13-36-17-22(23)27(35)30-24/h3-6,19,21H,1-2,7-17H2,(H,29,30,35)
InChIKeyNEUUVLLFIFUTLB-UHFFFAOYSA-N
MW512.58 g/mol
LogP2.08
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 136627207) has the molecular formula C27H33FN4O5 and a molecular weight of 512.58 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID136627207
Molecular FormulaC27H33FN4O5
Molecular Weight512.58 g/mol
Exact Mass512.24
IUPAC Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESO=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CCCO2)CC1
InChIInChI=1S/C27H33FN4O5/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-12-37-21)15-24-29-23-9-13-36-17-22(23)27(35)30-24/h3-6,19,21H,1-2,7-17H2,(H,29,30,35)
InChIKeyNEUUVLLFIFUTLB-UHFFFAOYSA-N
XLogP2.08
TPSA104.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.58
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide with MolForge

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Related Compounds

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
N-(cyclopropylmethyl)-2-[4-[hydroxy-(4-methoxyphenyl)methyl]piperidin-1-yl]-N-[(4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-2-yl)methyl]acetamide
CID 137090888
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 46994502
tert-butyl N-(cyclopropylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamate
CID 136627243
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 78041643
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
3-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722369
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-N-prop-2-ynylacetamide
CID 121494176
2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135891120
N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 97270295
N-[3-oxo-3-[oxolan-2-ylmethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propyl]furan-2-carboxamide
CID 135569912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 136627207) is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CCCO2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is NEUUVLLFIFUTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O5/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-12-37-21)15-24-29-23-9-13-36-17-22(23)27(35)30-24/h3-6,19,21H,1-2,7-17H2,(H,29,30,35).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 512.58 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 136627207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).