N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide

C19H31N5O2 — CID 56886571

IUPACN-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-20-19(25)6-9-23-7-4-16(5-8-23)17-14-18(22-15(2)21-17)24-10-12-26-13-11-24/h14,16H,3-13H2,1-2H3,(H,20,25)
InChIKeyDEKGQXCTYZFPTQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.33
Rot. Bonds6

About N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide

N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide (PubChem CID 56886571) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
PubChem CID56886571
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-20-19(25)6-9-23-7-4-16(5-8-23)17-14-18(22-15(2)21-17)24-10-12-26-13-11-24/h14,16H,3-13H2,1-2H3,(H,20,25)
InChIKeyDEKGQXCTYZFPTQ-UHFFFAOYSA-N
XLogP1.33
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide (CID 56886571) is N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide is CCNC(=O)CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
The InChIKey is DEKGQXCTYZFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-20-19(25)6-9-23-7-4-16(5-8-23)17-14-18(22-15(2)21-17)24-10-12-26-13-11-24/h14,16H,3-13H2,1-2H3,(H,20,25).
What are the key properties of N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide?
N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide has a molecular weight of 361.49 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56886571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).