methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate

C19H23N3O2 — CID 66956368

IUPACmethyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(C)nc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14-16(13-17(23)24-2)18(15-9-5-3-6-10-15)21-19(20-14)22-11-7-4-8-12-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyVUZWBNBBGGFNID-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.16
Rot. Bonds4

About methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate

methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate (PubChem CID 66956368) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate
PubChem CID66956368
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namemethyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(C)nc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14-16(13-17(23)24-2)18(15-9-5-3-6-10-15)21-19(20-14)22-11-7-4-8-12-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyVUZWBNBBGGFNID-UHFFFAOYSA-N
XLogP3.16
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate
CID 75443190
1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
methyl 3-amino-5-(azepan-1-yl)-6-phenylpyrazine-2-carboxylate
CID 58870289
3-[11-(azepan-1-yl)-13-(4-methoxyphenyl)-4,6-dimethyl-3,7,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl]propanoic acid
CID 22430915
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
CID 110434013
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide
CID 13499577
methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
CID 110434020
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate (CID 66956368) is methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate is COC(=O)Cc1c(C)nc(N2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate?
The InChIKey is VUZWBNBBGGFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-16(13-17(23)24-2)18(15-9-5-3-6-10-15)21-19(20-14)22-11-7-4-8-12-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate?
methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate has a molecular weight of 325.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate is sourced from PubChem (CID 66956368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).