N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide

C23H32N4O2 — CID 71576222

IUPACN-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide
SMILESCCNC(=O)C(C)c1ccc(C2CCN(c3ccnc(OC(C)C)n3)CC2)cc1
InChIInChI=1S/C23H32N4O2/c1-5-24-22(28)17(4)18-6-8-19(9-7-18)20-11-14-27(15-12-20)21-10-13-25-23(26-21)29-16(2)3/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,24,28)
InChIKeyUBJPGSCFJOQGCY-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.89
Rot. Bonds7

About N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide

N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide (PubChem CID 71576222) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide
PubChem CID71576222
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide
SMILESCCNC(=O)C(C)c1ccc(C2CCN(c3ccnc(OC(C)C)n3)CC2)cc1
InChIInChI=1S/C23H32N4O2/c1-5-24-22(28)17(4)18-6-8-19(9-7-18)20-11-14-27(15-12-20)21-10-13-25-23(26-21)29-16(2)3/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,24,28)
InChIKeyUBJPGSCFJOQGCY-UHFFFAOYSA-N
XLogP3.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide?
The IUPAC name of N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide (CID 71576222) is N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide is CCNC(=O)C(C)c1ccc(C2CCN(c3ccnc(OC(C)C)n3)CC2)cc1.
What is the InChIKey of N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide?
The InChIKey is UBJPGSCFJOQGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-24-22(28)17(4)18-6-8-19(9-7-18)20-11-14-27(15-12-20)21-10-13-25-23(26-21)29-16(2)3/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide?
N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[1-(2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 71576222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).