6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid

C25H33N3O5 — CID 67156195

IUPAC6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
SMILESCc1nc(CCC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C25H33N3O5/c1-17-22(32-16-19-8-6-5-7-9-19)21(23(29)30)27-20(26-17)11-10-18-12-14-28(15-13-18)24(31)33-25(2,3)4/h5-9,18H,10-16H2,1-4H3,(H,29,30)
InChIKeyDKJSULVNMTYRGS-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.64
Rot. Bonds7

About 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid

6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid (PubChem CID 67156195) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
PubChem CID67156195
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid
SMILESCc1nc(CCC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1OCc1ccccc1
InChIInChI=1S/C25H33N3O5/c1-17-22(32-16-19-8-6-5-7-9-19)21(23(29)30)27-20(26-17)11-10-18-12-14-28(15-13-18)24(31)33-25(2,3)4/h5-9,18H,10-16H2,1-4H3,(H,29,30)
InChIKeyDKJSULVNMTYRGS-UHFFFAOYSA-N
XLogP4.64
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid
CID 67156396
6-methyl-5-phenylmethoxy-2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-4-carboxylic acid
CID 67156070
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[(5-phenylmethoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 171082980
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[(2,6-dichloro-4-phenylmethoxyphenoxy)methyl]piperidine-1-carboxylate
CID 58758910
tert-butyl 4-[4-[(4-phenylmethoxyphenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25027098
2-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methyl]-6-methyl-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 67155781
tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate
CID 18187483
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid (CID 67156195) is 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid is Cc1nc(CCC2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1OCc1ccccc1.
What is the InChIKey of 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid?
The InChIKey is DKJSULVNMTYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-17-22(32-16-19-8-6-5-7-9-19)21(23(29)30)27-20(26-17)11-10-18-12-14-28(15-13-18)24(31)33-25(2,3)4/h5-9,18H,10-16H2,1-4H3,(H,29,30).
What are the key properties of 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid?
6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid has a molecular weight of 455.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-5-phenylmethoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 67156195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).