2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide

C18H21ClN4O — CID 122299697

IUPAC2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
SMILESCC1CCN(c2ncc(NC(=O)Cc3ccccc3Cl)cn2)CC1
InChIInChI=1S/C18H21ClN4O/c1-13-6-8-23(9-7-13)18-20-11-15(12-21-18)22-17(24)10-14-4-2-3-5-16(14)19/h2-5,11-13H,6-10H2,1H3,(H,22,24)
InChIKeyHGSHWMDYTBGYAU-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.55
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide

2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122299697) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122299697
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
SMILESCC1CCN(c2ncc(NC(=O)Cc3ccccc3Cl)cn2)CC1
InChIInChI=1S/C18H21ClN4O/c1-13-6-8-23(9-7-13)18-20-11-15(12-21-18)22-17(24)10-14-4-2-3-5-16(14)19/h2-5,11-13H,6-10H2,1H3,(H,22,24)
InChIKeyHGSHWMDYTBGYAU-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 53164803
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122299799
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
2-indol-1-yl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299817
2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164705
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-2-carboxamide
CID 122299715
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
2-(2-fluorophenoxy)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
CID 122299851
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 122299597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide (CID 122299697) is 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide is CC1CCN(c2ncc(NC(=O)Cc3ccccc3Cl)cn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is HGSHWMDYTBGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13-6-8-23(9-7-13)18-20-11-15(12-21-18)22-17(24)10-14-4-2-3-5-16(14)19/h2-5,11-13H,6-10H2,1H3,(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide?
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 344.85 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122299697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).