4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide

C25H27FN4O2 — CID 59421171

IUPAC4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F)c1cccc(O)c1
InChIInChI=1S/C25H27FN4O2/c1-17(2)30(18-9-8-10-19(31)15-18)24(32)21-16-27-25(29-13-6-3-7-14-29)28-23(21)20-11-4-5-12-22(20)26/h4-5,8-12,15-17,31H,3,6-7,13-14H2,1-2H3
InChIKeyDQTNWWDIYHNUMW-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.03
Rot. Bonds5

About 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide

4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 59421171) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID59421171
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F)c1cccc(O)c1
InChIInChI=1S/C25H27FN4O2/c1-17(2)30(18-9-8-10-19(31)15-18)24(32)21-16-27-25(29-13-6-3-7-14-29)28-23(21)20-11-4-5-12-22(20)26/h4-5,8-12,15-17,31H,3,6-7,13-14H2,1-2H3
InChIKeyDQTNWWDIYHNUMW-UHFFFAOYSA-N
XLogP5.03
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 59421171) is 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)N(C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F)c1cccc(O)c1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is DQTNWWDIYHNUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17(2)30(18-9-8-10-19(31)15-18)24(32)21-16-27-25(29-13-6-3-7-14-29)28-23(21)20-11-4-5-12-22(20)26/h4-5,8-12,15-17,31H,3,6-7,13-14H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(3-hydroxyphenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).