2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide

C22H30N4O4 — CID 118366198

IUPAC2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NC(C)(C)CO)cn2)C1
InChIInChI=1S/C22H30N4O4/c1-4-29-18-9-5-6-10-19(18)30-17-8-7-11-26(14-17)21-23-12-16(13-24-21)20(28)25-22(2,3)15-27/h5-6,9-10,12-13,17,27H,4,7-8,11,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyWOITWYYPJBHODL-QGZVFWFLSA-N
MW414.51 g/mol
LogP2.42
Rot. Bonds8

About 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide

2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 118366198) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
PubChem CID118366198
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NC(C)(C)CO)cn2)C1
InChIInChI=1S/C22H30N4O4/c1-4-29-18-9-5-6-10-19(18)30-17-8-7-11-26(14-17)21-23-12-16(13-24-21)20(28)25-22(2,3)15-27/h5-6,9-10,12-13,17,27H,4,7-8,11,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyWOITWYYPJBHODL-QGZVFWFLSA-N
XLogP2.42
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide (CID 118366198) is 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide is CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NC(C)(C)CO)cn2)C1.
What is the InChIKey of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is WOITWYYPJBHODL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-4-29-18-9-5-6-10-19(18)30-17-8-7-11-26(14-17)21-23-12-16(13-24-21)20(28)25-22(2,3)15-27/h5-6,9-10,12-13,17,27H,4,7-8,11,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 118366198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).