3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide

C22H30ClN5O2 — CID 110259612

IUPAC3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide
SMILESCN(Cc1cc(N(C)C)nc(C2CCCCN2)n1)C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H30ClN5O2/c1-27(2)20-14-17(25-22(26-20)19-6-4-5-12-24-19)15-28(3)21(29)11-13-30-18-9-7-16(23)8-10-18/h7-10,14,19,24H,4-6,11-13,15H2,1-3H3
InChIKeyBIEVYDYDJOZZQW-UHFFFAOYSA-N
MW431.97 g/mol
LogP3.44
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide

3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide (PubChem CID 110259612) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide
PubChem CID110259612
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide
SMILESCN(Cc1cc(N(C)C)nc(C2CCCCN2)n1)C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H30ClN5O2/c1-27(2)20-14-17(25-22(26-20)19-6-4-5-12-24-19)15-28(3)21(29)11-13-30-18-9-7-16(23)8-10-18/h7-10,14,19,24H,4-6,11-13,15H2,1-3H3
InChIKeyBIEVYDYDJOZZQW-UHFFFAOYSA-N
XLogP3.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide (CID 110259612) is 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide is CN(Cc1cc(N(C)C)nc(C2CCCCN2)n1)C(=O)CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide?
The InChIKey is BIEVYDYDJOZZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2/c1-27(2)20-14-17(25-22(26-20)19-6-4-5-12-24-19)15-28(3)21(29)11-13-30-18-9-7-16(23)8-10-18/h7-10,14,19,24H,4-6,11-13,15H2,1-3H3.
What are the key properties of 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide?
3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide has a molecular weight of 431.97 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[[6-(dimethylamino)-2-piperidin-2-ylpyrimidin-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 110259612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).