2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C17H18Cl2N4O — CID 55705364

IUPAC2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c18-14-3-1-4-15(19)13(14)11-16(24)22-12-5-9-23(10-6-12)17-20-7-2-8-21-17/h1-4,7-8,12H,5-6,9-11H2,(H,22,24)
InChIKeyQIFDJCNETLUKJB-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.11
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 55705364) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID55705364
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H18Cl2N4O/c18-14-3-1-4-15(19)13(14)11-16(24)22-12-5-9-23(10-6-12)17-20-7-2-8-21-17/h1-4,7-8,12H,5-6,9-11H2,(H,22,24)
InChIKeyQIFDJCNETLUKJB-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035370
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
2-amino-N-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]acetamide
CID 60846789
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
2-(2,6-dichlorophenyl)-N-(4-ethylcyclohexyl)acetamide
CID 22076137
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 55705364) is 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is O=C(Cc1c(Cl)cccc1Cl)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is QIFDJCNETLUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-14-3-1-4-15(19)13(14)11-16(24)22-12-5-9-23(10-6-12)17-20-7-2-8-21-17/h1-4,7-8,12H,5-6,9-11H2,(H,22,24).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 365.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 55705364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).