ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate

C15H23N3O2 — CID 124953490

IUPACethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate
SMILESCCOC(=O)CCc1cc(C)nc([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)7-6-13-9-11(2)17-15(18-13)12-5-4-8-16-10-12/h9,12,16H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyDVNRRXVRSYHTNG-GFCCVEGCSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds5

About ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate

ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate (PubChem CID 124953490) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate
PubChem CID124953490
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate
SMILESCCOC(=O)CCc1cc(C)nc([C@@H]2CCCNC2)n1
InChIInChI=1S/C15H23N3O2/c1-3-20-14(19)7-6-13-9-11(2)17-15(18-13)12-5-4-8-16-10-12/h9,12,16H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyDVNRRXVRSYHTNG-GFCCVEGCSA-N
XLogP1.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methyl-2-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
CID 110258145
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
ethyl 4-[(3R)-piperidin-3-yl]-1,3-thiazole-2-carboxylate
CID 96839534
N,N-dimethyl-3-[6-methyl-2-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95827163
N,N-dimethyl-3-[6-methyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanamide
CID 110258190
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
CID 116893430
3-[6-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-yl]propanamide
CID 95826565
4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124971396
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate?
The IUPAC name of ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate (CID 124953490) is ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate?
The canonical SMILES for ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate is CCOC(=O)CCc1cc(C)nc([C@@H]2CCCNC2)n1.
What is the InChIKey of ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate?
The InChIKey is DVNRRXVRSYHTNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-14(19)7-6-13-9-11(2)17-15(18-13)12-5-4-8-16-10-12/h9,12,16H,3-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate?
ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate has a molecular weight of 277.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-methyl-2-[(3R)-piperidin-3-yl]pyrimidin-4-yl]propanoate is sourced from PubChem (CID 124953490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).