N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C21H26FN5O2 — CID 53165791

IUPACN-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C21H26FN5O2/c1-15-12-17(22)2-3-18(15)25-21(28)16-4-6-26(7-5-16)19-13-23-14-24-20(19)27-8-10-29-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,25,28)
InChIKeyMHKRYBJCDMJMFF-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.62
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165791) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165791
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C21H26FN5O2/c1-15-12-17(22)2-3-18(15)25-21(28)16-4-6-26(7-5-16)19-13-23-14-24-20(19)27-8-10-29-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,25,28)
InChIKeyMHKRYBJCDMJMFF-UHFFFAOYSA-N
XLogP2.62
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165791) is N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is Cc1cc(F)ccc1NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is MHKRYBJCDMJMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-15-12-17(22)2-3-18(15)25-21(28)16-4-6-26(7-5-16)19-13-23-14-24-20(19)27-8-10-29-11-9-27/h2-3,12-14,16H,4-11H2,1H3,(H,25,28).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).