3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide

C20H26N4O2 — CID 71893149

IUPAC3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-15-6-7-16(2)18(13-15)26-12-8-19(25)23-17-5-3-11-24(14-17)20-21-9-4-10-22-20/h4,6-7,9-10,13,17H,3,5,8,11-12,14H2,1-2H3,(H,23,25)
InChIKeyQSVMIAJUFWLFBN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.65
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide

3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide (PubChem CID 71893149) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
PubChem CID71893149
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)NC2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-15-6-7-16(2)18(13-15)26-12-8-19(25)23-17-5-3-11-24(14-17)20-21-9-4-10-22-20/h4,6-7,9-10,13,17H,3,5,8,11-12,14H2,1-2H3,(H,23,25)
InChIKeyQSVMIAJUFWLFBN-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55803550
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95721250
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95717925

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide (CID 71893149) is 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide is Cc1ccc(C)c(OCCC(=O)NC2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The InChIKey is QSVMIAJUFWLFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-6-7-16(2)18(13-15)26-12-8-19(25)23-17-5-3-11-24(14-17)20-21-9-4-10-22-20/h4,6-7,9-10,13,17H,3,5,8,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 71893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).