3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide

C21H28N4O3 — CID 22257935

IUPAC3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC3CCCNC3)nc2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-6-5-16(10-19(18)28-2)17-13-23-20(24-14-17)7-8-21(26)25-12-15-4-3-9-22-11-15/h5-6,10,13-15,22H,3-4,7-9,11-12H2,1-2H3,(H,25,26)
InChIKeyKVDZJYKNWBQFFZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.21
Rot. Bonds8

About 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide

3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 22257935) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide
PubChem CID22257935
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC3CCCNC3)nc2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-6-5-16(10-19(18)28-2)17-13-23-20(24-14-17)7-8-21(26)25-12-15-4-3-9-22-11-15/h5-6,10,13-15,22H,3-4,7-9,11-12H2,1-2H3,(H,25,26)
InChIKeyKVDZJYKNWBQFFZ-UHFFFAOYSA-N
XLogP2.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462202
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide (CID 22257935) is 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide is COc1ccc(-c2cnc(CCC(=O)NCC3CCCNC3)nc2)cc1OC.
What is the InChIKey of 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is KVDZJYKNWBQFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-18-6-5-16(10-19(18)28-2)17-13-23-20(24-14-17)7-8-21(26)25-12-15-4-3-9-22-11-15/h5-6,10,13-15,22H,3-4,7-9,11-12H2,1-2H3,(H,25,26).
What are the key properties of 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide?
3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 22257935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).