N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C21H25FN4O3 — CID 54682232

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2N1CCCCC1
InChIInChI=1S/C21H25FN4O3/c22-15-8-6-14(7-9-15)13-23-20(28)17-18(27)21(29)26-12-4-5-16(19(26)24-17)25-10-2-1-3-11-25/h6-9,16,27H,1-5,10-13H2,(H,23,28)
InChIKeyIRNRDZAYDAXXQZ-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.34
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54682232) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54682232
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2N1CCCCC1
InChIInChI=1S/C21H25FN4O3/c22-15-8-6-14(7-9-15)13-23-20(28)17-18(27)21(29)26-12-4-5-16(19(26)24-17)25-10-2-1-3-11-25/h6-9,16,27H,1-5,10-13H2,(H,23,28)
InChIKeyIRNRDZAYDAXXQZ-UHFFFAOYSA-N
XLogP2.34
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 54682232) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is IRNRDZAYDAXXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-15-8-6-14(7-9-15)13-23-20(28)17-18(27)21(29)26-12-4-5-16(19(26)24-17)25-10-2-1-3-11-25/h6-9,16,27H,1-5,10-13H2,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-piperidin-1-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54682232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).