N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C21H26FN5O2 — CID 16673475

IUPACN-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C21H26FN5O2/c22-18-3-1-2-16(12-18)15-26-6-4-19(5-7-26)25-20(28)17-13-23-21(24-14-17)27-8-10-29-11-9-27/h1-3,12-14,19H,4-11,15H2,(H,25,28)
InChIKeyMIHMSOAERVNHKS-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.85
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 16673475) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID16673475
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C21H26FN5O2/c22-18-3-1-2-16(12-18)15-26-6-4-19(5-7-26)25-20(28)17-13-23-21(24-14-17)27-8-10-29-11-9-27/h1-3,12-14,19H,4-11,15H2,(H,25,28)
InChIKeyMIHMSOAERVNHKS-UHFFFAOYSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 16673475) is N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is MIHMSOAERVNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c22-18-3-1-2-16(12-18)15-26-6-4-19(5-7-26)25-20(28)17-13-23-21(24-14-17)27-8-10-29-11-9-27/h1-3,12-14,19H,4-11,15H2,(H,25,28).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 16673475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).